\-/ -/- PTRAJ: a utility for processing trajectory files /-\ \-/ Version: "AMBER 10.0 integrated" (2/15/2008) -/- Executable is: "ptraj" /-\ \-/ Residue labels: ALA ALA LYS ASP VAL LYS PHE GLY ASN ASP ALA ARG VAL LYS MET LEU ARG GLY VAL ASN VAL LEU ALA ASP ALA VAL LYS VAL THR LEU GLY PRO LYS GLY ARG ASN VAL VAL LEU ASP LYS SER PHE GLY ALA PRO THR ILE THR LYS ASP GLY VAL SER VAL ALA ARG GLU ILE GLU LEU GLU ASP LYS PHE GLU ASN MET GLY ALA GLN MET VAL LYS GLU VAL ALA SER LYS ALA ASN ASP ALA ALA GLY ASP GLY THR THR THR ALA THR VAL LEU ALA GLN ALA ILE ILE THR GLU GLY LEU LYS ALA VAL ALA ALA GLY MET ASN PRO MET ASP LEU LYS ARG GLY ILE ASP LYS ALA VAL THR ALA ALA VAL GLU GLU LEU LYS ALA LEU SER VAL PRO CYS SER ASP SER LYS ALA ILE ALA GLN VAL GLY THR ILE SER ALA ASN SER ASP GLU THR VAL GLY LYS LEU ILE ALA GLU ALA MET ASP LYS VAL GLY LYS GLU GLY VAL ILE THR VAL GLU ASP GLY THR GLY LEU GLN ASP GLU LEU ASP VAL VAL GLU GLY MET GLN PHE ASP ARG GLY TYR LEU SER PRO TYR PHE ILE ASN LYS PRO GLU THR GLY ALA VAL GLU LEU GLU SER PRO PHE ILE LEU LEU ALA ASP LYS LYS ILE SER ASN ILE ARG GLU MET LEU PRO VAL LEU GLU ALA VAL ALA LYS ALA GLY LYS PRO LEU LEU ILE ILE ALA GLU ASP VAL GLU GLY GLU ALA LEU ALA THR LEU VAL VAL ASN THR MET ARG GLY ILE VAL LYS VAL ALA ALA VAL LYS ALA PRO GLY PHE GLY ASP ARG ARG LYS ALA MET LEU GLN ASP ILE ALA THR LEU THR GLY GLY THR VAL ILE SER GLU GLU ILE GLY MET GLU LEU GLU LYS ALA THR LEU GLU ASP LEU GLY GLN ALA LYS ARG VAL VAL ILE ASN LYS ASP THR THR THR ILE ILE ASP GLY VAL GLY GLU GLU ALA ALA ILE GLN GLY ARG VAL ALA GLN ILE ARG GLN GLN ILE GLU GLU ALA THR SER ASP TYR ASP ARG GLU LYS LEU GLN GLU ARG VAL ALA LYS LEU ALA GLY GLY VAL ALA VAL ILE LYS VAL GLY ALA ALA THR GLU VAL GLU MET LYS GLU LYS LYS ALA ARG VAL GLU ASP ALA LEU HID ALA THR ARG ALA ALA VAL GLU GLU GLY VAL VAL ALA GLY GLY GLY VAL ALA LEU ILE ARG VAL ALA SER LYS LEU ALA ASP LEU ARG GLY GLN ASN GLU ASP GLN ASN VAL GLY ILE LYS VAL ALA LEU ARG ALA MET GLU ALA PRO LEU ARG GLN ILE VAL LEU ASN CYS GLY GLU GLU PRO SER VAL VAL ALA ASN THR VAL LYS GLY GLY ASP GLY ASN TYR GLY TYR ASN ALA ALA THR GLU GLU TYR GLY ASN MET ILE ASP MET GLY ILE LEU ASP PRO THR LYS VAL THR ARG SER ALA LEU GLN TYR ALA ALA SER VAL ALA GLY LEU MET ILE THR THR GLU CYS MET VAL THR ASP LEU PRO ADP MG2 WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT ... WAT Setting box to be an exact truncated octahedron, angle is 109.471221 PTRAJ: Processing input from file rmsd.ptraj PTRAJ: trajin 124_1SVT_chainA_MGADP1.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP1.mdcrd trajin 124_1SVT_chainA_MGADP1.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP1.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP2.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP2.mdcrd trajin 124_1SVT_chainA_MGADP2.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP2.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP3.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP3.mdcrd trajin 124_1SVT_chainA_MGADP3.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP3.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP4.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP4.mdcrd trajin 124_1SVT_chainA_MGADP4.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP4.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP5.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP5.mdcrd trajin 124_1SVT_chainA_MGADP5.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP5.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP6.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP6.mdcrd trajin 124_1SVT_chainA_MGADP6.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP6.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP7.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP7.mdcrd trajin 124_1SVT_chainA_MGADP7.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP7.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP8.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP8.mdcrd trajin 124_1SVT_chainA_MGADP8.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP8.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP9.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP9.mdcrd trajin 124_1SVT_chainA_MGADP9.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP9.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP10.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP10.mdcrd trajin 124_1SVT_chainA_MGADP10.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP10.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP11.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP11.mdcrd trajin 124_1SVT_chainA_MGADP11.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP11.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP12.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP12.mdcrd trajin 124_1SVT_chainA_MGADP12.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP12.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP13.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP13.mdcrd trajin 124_1SVT_chainA_MGADP13.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP13.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP14.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP14.mdcrd trajin 124_1SVT_chainA_MGADP14.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP14.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP15.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP15.mdcrd trajin 124_1SVT_chainA_MGADP15.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP15.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP16.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP16.mdcrd trajin 124_1SVT_chainA_MGADP16.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP16.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP17.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP17.mdcrd trajin 124_1SVT_chainA_MGADP17.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP17.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP18.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP18.mdcrd trajin 124_1SVT_chainA_MGADP18.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP18.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP19.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP19.mdcrd trajin 124_1SVT_chainA_MGADP19.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP19.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP20.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP20.mdcrd trajin 124_1SVT_chainA_MGADP20.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP20.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP21.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP21.mdcrd trajin 124_1SVT_chainA_MGADP21.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP21.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP22.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP22.mdcrd trajin 124_1SVT_chainA_MGADP22.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP22.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP23.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP23.mdcrd trajin 124_1SVT_chainA_MGADP23.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP23.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP24.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP24.mdcrd trajin 124_1SVT_chainA_MGADP24.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP24.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP25.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP25.mdcrd trajin 124_1SVT_chainA_MGADP25.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP25.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP26.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP26.mdcrd trajin 124_1SVT_chainA_MGADP26.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP26.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP27.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP27.mdcrd trajin 124_1SVT_chainA_MGADP27.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP27.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP28.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP28.mdcrd trajin 124_1SVT_chainA_MGADP28.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP28.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP29.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP29.mdcrd trajin 124_1SVT_chainA_MGADP29.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP29.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP30.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP30.mdcrd trajin 124_1SVT_chainA_MGADP30.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP30.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP31.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP31.mdcrd trajin 124_1SVT_chainA_MGADP31.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP31.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP32.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP32.mdcrd trajin 124_1SVT_chainA_MGADP32.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP32.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP33.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP33.mdcrd trajin 124_1SVT_chainA_MGADP33.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP33.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP34.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP34.mdcrd trajin 124_1SVT_chainA_MGADP34.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP34.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP35.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP35.mdcrd trajin 124_1SVT_chainA_MGADP35.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP35.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP36.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP36.mdcrd trajin 124_1SVT_chainA_MGADP36.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP36.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP37.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP37.mdcrd trajin 124_1SVT_chainA_MGADP37.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP37.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP38.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP38.mdcrd trajin 124_1SVT_chainA_MGADP38.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP38.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP39.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP39.mdcrd trajin 124_1SVT_chainA_MGADP39.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP39.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP40.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP40.mdcrd trajin 124_1SVT_chainA_MGADP40.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP40.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP41.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP41.mdcrd trajin 124_1SVT_chainA_MGADP41.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP41.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP42.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP42.mdcrd trajin 124_1SVT_chainA_MGADP42.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP42.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP43.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP43.mdcrd trajin 124_1SVT_chainA_MGADP43.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP43.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP44.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP44.mdcrd trajin 124_1SVT_chainA_MGADP44.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP44.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP45.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP45.mdcrd trajin 124_1SVT_chainA_MGADP45.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP45.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP46.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP46.mdcrd trajin 124_1SVT_chainA_MGADP46.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP46.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP47.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP47.mdcrd trajin 124_1SVT_chainA_MGADP47.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP47.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP48.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP48.mdcrd trajin 124_1SVT_chainA_MGADP48.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP48.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP49.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP49.mdcrd trajin 124_1SVT_chainA_MGADP49.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP49.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP50.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP50.mdcrd trajin 124_1SVT_chainA_MGADP50.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP50.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP51.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP51.mdcrd trajin 124_1SVT_chainA_MGADP51.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP51.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP52.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP52.mdcrd trajin 124_1SVT_chainA_MGADP52.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP52.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP53.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP53.mdcrd trajin 124_1SVT_chainA_MGADP53.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP53.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP54.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP54.mdcrd trajin 124_1SVT_chainA_MGADP54.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP54.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP55.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP55.mdcrd trajin 124_1SVT_chainA_MGADP55.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP55.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP56.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP56.mdcrd trajin 124_1SVT_chainA_MGADP56.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP56.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP57.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP57.mdcrd trajin 124_1SVT_chainA_MGADP57.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP57.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP58.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP58.mdcrd trajin 124_1SVT_chainA_MGADP58.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP58.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP59.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP59.mdcrd trajin 124_1SVT_chainA_MGADP59.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP59.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP60.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP60.mdcrd trajin 124_1SVT_chainA_MGADP60.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP60.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP61.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP61.mdcrd trajin 124_1SVT_chainA_MGADP61.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP61.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP62.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP62.mdcrd trajin 124_1SVT_chainA_MGADP62.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP62.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP63.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP63.mdcrd trajin 124_1SVT_chainA_MGADP63.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP63.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP64.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP64.mdcrd trajin 124_1SVT_chainA_MGADP64.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP64.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP65.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP65.mdcrd trajin 124_1SVT_chainA_MGADP65.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP65.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP66.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP66.mdcrd trajin 124_1SVT_chainA_MGADP66.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP66.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP67.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP67.mdcrd trajin 124_1SVT_chainA_MGADP67.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP67.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP68.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP68.mdcrd trajin 124_1SVT_chainA_MGADP68.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP68.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP69.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP69.mdcrd trajin 124_1SVT_chainA_MGADP69.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP69.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP70.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP70.mdcrd trajin 124_1SVT_chainA_MGADP70.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP70.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP71.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP71.mdcrd trajin 124_1SVT_chainA_MGADP71.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP71.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP72.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP72.mdcrd trajin 124_1SVT_chainA_MGADP72.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP72.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP73.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP73.mdcrd trajin 124_1SVT_chainA_MGADP73.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP73.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP74.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP74.mdcrd trajin 124_1SVT_chainA_MGADP74.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP74.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP75.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP75.mdcrd trajin 124_1SVT_chainA_MGADP75.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP75.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP76.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP76.mdcrd trajin 124_1SVT_chainA_MGADP76.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP76.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP77.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP77.mdcrd trajin 124_1SVT_chainA_MGADP77.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP77.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP78.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP78.mdcrd trajin 124_1SVT_chainA_MGADP78.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP78.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP79.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP79.mdcrd trajin 124_1SVT_chainA_MGADP79.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP79.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP80.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP80.mdcrd trajin 124_1SVT_chainA_MGADP80.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP80.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP81.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP81.mdcrd trajin 124_1SVT_chainA_MGADP81.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP81.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP82.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP82.mdcrd trajin 124_1SVT_chainA_MGADP82.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP82.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP83.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP83.mdcrd trajin 124_1SVT_chainA_MGADP83.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP83.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP84.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP84.mdcrd trajin 124_1SVT_chainA_MGADP84.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP84.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP85.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP85.mdcrd trajin 124_1SVT_chainA_MGADP85.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP85.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP86.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP86.mdcrd trajin 124_1SVT_chainA_MGADP86.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP86.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP87.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP87.mdcrd trajin 124_1SVT_chainA_MGADP87.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP87.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP88.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP88.mdcrd trajin 124_1SVT_chainA_MGADP88.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP88.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP89.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP89.mdcrd trajin 124_1SVT_chainA_MGADP89.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP89.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP90.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP90.mdcrd trajin 124_1SVT_chainA_MGADP90.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP90.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP91.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP91.mdcrd trajin 124_1SVT_chainA_MGADP91.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP91.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP92.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP92.mdcrd trajin 124_1SVT_chainA_MGADP92.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP92.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP93.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP93.mdcrd trajin 124_1SVT_chainA_MGADP93.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP93.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP94.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP94.mdcrd trajin 124_1SVT_chainA_MGADP94.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP94.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP95.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP95.mdcrd trajin 124_1SVT_chainA_MGADP95.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP95.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP96.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP96.mdcrd trajin 124_1SVT_chainA_MGADP96.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP96.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP97.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP97.mdcrd trajin 124_1SVT_chainA_MGADP97.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP97.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP98.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP98.mdcrd trajin 124_1SVT_chainA_MGADP98.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP98.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP99.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP99.mdcrd trajin 124_1SVT_chainA_MGADP99.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP99.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP100.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP100.mdcrd trajin 124_1SVT_chainA_MGADP100.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP100.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP101.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP101.mdcrd trajin 124_1SVT_chainA_MGADP101.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP101.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP102.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP102.mdcrd trajin 124_1SVT_chainA_MGADP102.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP102.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP103.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP103.mdcrd trajin 124_1SVT_chainA_MGADP103.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP103.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP104.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP104.mdcrd trajin 124_1SVT_chainA_MGADP104.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP104.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP105.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP105.mdcrd trajin 124_1SVT_chainA_MGADP105.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP105.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP106.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP106.mdcrd trajin 124_1SVT_chainA_MGADP106.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP106.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP107.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP107.mdcrd trajin 124_1SVT_chainA_MGADP107.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP107.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP108.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP108.mdcrd trajin 124_1SVT_chainA_MGADP108.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP108.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP109.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP109.mdcrd trajin 124_1SVT_chainA_MGADP109.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP109.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP110.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP110.mdcrd trajin 124_1SVT_chainA_MGADP110.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP110.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP111.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP111.mdcrd trajin 124_1SVT_chainA_MGADP111.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP111.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP112.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP112.mdcrd trajin 124_1SVT_chainA_MGADP112.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP112.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP113.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP113.mdcrd trajin 124_1SVT_chainA_MGADP113.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP113.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP114.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP114.mdcrd trajin 124_1SVT_chainA_MGADP114.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP114.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP115.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP115.mdcrd trajin 124_1SVT_chainA_MGADP115.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP115.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP116.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP116.mdcrd trajin 124_1SVT_chainA_MGADP116.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP116.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP117.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP117.mdcrd trajin 124_1SVT_chainA_MGADP117.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP117.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP118.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP118.mdcrd trajin 124_1SVT_chainA_MGADP118.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP118.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP119.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP119.mdcrd trajin 124_1SVT_chainA_MGADP119.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP119.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP120.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP120.mdcrd trajin 124_1SVT_chainA_MGADP120.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP120.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP121.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP121.mdcrd trajin 124_1SVT_chainA_MGADP121.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP121.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP122.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP122.mdcrd trajin 124_1SVT_chainA_MGADP122.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP122.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP123.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP123.mdcrd trajin 124_1SVT_chainA_MGADP123.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP123.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP124.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP124.mdcrd trajin 124_1SVT_chainA_MGADP124.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP124.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP125.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP125.mdcrd trajin 124_1SVT_chainA_MGADP125.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP125.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP126.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP126.mdcrd trajin 124_1SVT_chainA_MGADP126.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP126.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP127.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP127.mdcrd trajin 124_1SVT_chainA_MGADP127.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP127.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP128.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP128.mdcrd trajin 124_1SVT_chainA_MGADP128.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP128.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP129.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP129.mdcrd trajin 124_1SVT_chainA_MGADP129.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP129.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP130.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP130.mdcrd trajin 124_1SVT_chainA_MGADP130.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP130.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP131.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP131.mdcrd trajin 124_1SVT_chainA_MGADP131.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP131.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP132.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP132.mdcrd trajin 124_1SVT_chainA_MGADP132.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP132.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP133.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP133.mdcrd trajin 124_1SVT_chainA_MGADP133.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP133.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP134.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP134.mdcrd trajin 124_1SVT_chainA_MGADP134.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP134.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP135.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP135.mdcrd trajin 124_1SVT_chainA_MGADP135.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP135.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP136.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP136.mdcrd trajin 124_1SVT_chainA_MGADP136.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP136.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP137.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP137.mdcrd trajin 124_1SVT_chainA_MGADP137.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP137.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP138.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP138.mdcrd trajin 124_1SVT_chainA_MGADP138.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP138.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP139.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP139.mdcrd trajin 124_1SVT_chainA_MGADP139.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP139.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP140.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP140.mdcrd trajin 124_1SVT_chainA_MGADP140.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP140.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP141.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP141.mdcrd trajin 124_1SVT_chainA_MGADP141.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP141.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP142.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP142.mdcrd trajin 124_1SVT_chainA_MGADP142.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP142.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP143.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP143.mdcrd trajin 124_1SVT_chainA_MGADP143.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP143.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP144.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP144.mdcrd trajin 124_1SVT_chainA_MGADP144.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP144.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP145.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP145.mdcrd trajin 124_1SVT_chainA_MGADP145.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP145.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP146.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP146.mdcrd trajin 124_1SVT_chainA_MGADP146.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP146.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP147.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP147.mdcrd trajin 124_1SVT_chainA_MGADP147.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP147.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP148.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP148.mdcrd trajin 124_1SVT_chainA_MGADP148.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP148.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP149.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP149.mdcrd trajin 124_1SVT_chainA_MGADP149.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP149.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP150.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP150.mdcrd trajin 124_1SVT_chainA_MGADP150.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP150.mdcrd) PTRAJ: rms first mass out rmsd.dat @N,CA,C time 10.0 Mask [@N,CA,C] represents 1572 atoms PTRAJ: rms first mass out rmsd_apical.dat :192-374@N,CA,C time 10.0 Mask [:192-374@N,CA,C] represents 549 atoms PTRAJ: rms first mass out rmsd_equatorial.dat :1-136,410-524@N,CA,C time 10.0 Mask [:1-136,410-524@N,CA,C] represents 753 atoms PTRAJ: rms first mass out rmsd_intermediate.dat :137-191,375-409@N,CA,C time 10.0 Mask [:137-191,375-409@N,CA,C] represents 270 atoms WARNING in ptraj(): No input trajectories specified (trajin), aborting... \-/ -/- PTRAJ: a utility for processing trajectory files /-\ \-/ Version: "AMBER 10.0 integrated" (2/15/2008) -/- Executable is: "ptraj" /-\ \-/ Residue labels: ALA ALA LYS ASP VAL LYS PHE GLY ASN ASP ALA ARG VAL LYS MET LEU ARG GLY VAL ASN VAL LEU ALA ASP ALA VAL LYS VAL THR LEU GLY PRO LYS GLY ARG ASN VAL VAL LEU ASP LYS SER PHE GLY ALA PRO THR ILE THR LYS ASP GLY VAL SER VAL ALA ARG GLU ILE GLU LEU GLU ASP LYS PHE GLU ASN MET GLY ALA GLN MET VAL LYS GLU VAL ALA SER LYS ALA ASN ASP ALA ALA GLY ASP GLY THR THR THR ALA THR VAL LEU ALA GLN ALA ILE ILE THR GLU GLY LEU LYS ALA VAL ALA ALA GLY MET ASN PRO MET ASP LEU LYS ARG GLY ILE ASP LYS ALA VAL THR ALA ALA VAL GLU GLU LEU LYS ALA LEU SER VAL PRO CYS SER ASP SER LYS ALA ILE ALA GLN VAL GLY THR ILE SER ALA ASN SER ASP GLU THR VAL GLY LYS LEU ILE ALA GLU ALA MET ASP LYS VAL GLY LYS GLU GLY VAL ILE THR VAL GLU ASP GLY THR GLY LEU GLN ASP GLU LEU ASP VAL VAL GLU GLY MET GLN PHE ASP ARG GLY TYR LEU SER PRO TYR PHE ILE ASN LYS PRO GLU THR GLY ALA VAL GLU LEU GLU SER PRO PHE ILE LEU LEU ALA ASP LYS LYS ILE SER ASN ILE ARG GLU MET LEU PRO VAL LEU GLU ALA VAL ALA LYS ALA GLY LYS PRO LEU LEU ILE ILE ALA GLU ASP VAL GLU GLY GLU ALA LEU ALA THR LEU VAL VAL ASN THR MET ARG GLY ILE VAL LYS VAL ALA ALA VAL LYS ALA PRO GLY PHE GLY ASP ARG ARG LYS ALA MET LEU GLN ASP ILE ALA THR LEU THR GLY GLY THR VAL ILE SER GLU GLU ILE GLY MET GLU LEU GLU LYS ALA THR LEU GLU ASP LEU GLY GLN ALA LYS ARG VAL VAL ILE ASN LYS ASP THR THR THR ILE ILE ASP GLY VAL GLY GLU GLU ALA ALA ILE GLN GLY ARG VAL ALA GLN ILE ARG GLN GLN ILE GLU GLU ALA THR SER ASP TYR ASP ARG GLU LYS LEU GLN GLU ARG VAL ALA LYS LEU ALA GLY GLY VAL ALA VAL ILE LYS VAL GLY ALA ALA THR GLU VAL GLU MET LYS GLU LYS LYS ALA ARG VAL GLU ASP ALA LEU HID ALA THR ARG ALA ALA VAL GLU GLU GLY VAL VAL ALA GLY GLY GLY VAL ALA LEU ILE ARG VAL ALA SER LYS LEU ALA ASP LEU ARG GLY GLN ASN GLU ASP GLN ASN VAL GLY ILE LYS VAL ALA LEU ARG ALA MET GLU ALA PRO LEU ARG GLN ILE VAL LEU ASN CYS GLY GLU GLU PRO SER VAL VAL ALA ASN THR VAL LYS GLY GLY ASP GLY ASN TYR GLY TYR ASN ALA ALA THR GLU GLU TYR GLY ASN MET ILE ASP MET GLY ILE LEU ASP PRO THR LYS VAL THR ARG SER ALA LEU GLN TYR ALA ALA SER VAL ALA GLY LEU MET ILE THR THR GLU CYS MET VAL THR ASP LEU PRO ADP MG2 WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT ... WAT Setting box to be an exact truncated octahedron, angle is 109.471221 PTRAJ: Processing input from file rmsd.ptraj PTRAJ: trajin 124_1SVT_chainA_MGADP_prod1.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod1.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod2.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod2.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod3.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod3.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod4.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod4.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod5.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod5.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod6.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod6.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod7.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod7.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod8.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod8.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod9.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod9.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod10.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod10.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod11.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod11.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod12.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod12.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod13.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod13.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod14.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod14.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod15.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod15.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod16.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod16.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod17.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod17.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod18.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod18.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod19.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod19.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod20.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod20.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod21.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod21.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod22.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod22.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod23.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod23.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod24.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod24.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod25.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod25.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod26.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod26.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod27.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod27.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod28.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod28.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod29.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod29.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod30.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod30.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod31.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod31.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod32.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod32.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod33.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod33.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod34.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod34.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod35.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod35.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod36.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod36.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod37.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod37.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod38.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod38.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod39.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod39.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod40.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod40.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod41.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod41.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod42.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod42.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod43.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod43.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod44.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod44.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod45.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod45.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod46.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod46.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod47.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod47.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod48.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod48.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod49.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod49.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod50.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod50.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod51.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod51.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod52.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod52.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod53.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod53.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod54.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod54.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod55.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod55.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod56.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod56.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod57.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod57.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod58.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod58.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod59.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod59.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod60.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod60.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod61.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod61.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod62.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod62.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod63.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod63.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod64.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod64.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod65.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod65.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod66.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod66.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod67.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod67.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod68.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod68.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod69.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod69.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod70.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod70.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod71.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod71.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod72.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod72.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod73.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod73.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod74.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod74.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod75.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod75.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod76.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod76.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod77.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod77.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod78.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod78.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod79.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod79.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod80.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod80.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod81.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod81.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod82.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod82.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod83.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod83.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod84.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod84.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod85.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod85.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod86.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod86.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod87.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod87.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod88.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod88.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod89.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod89.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod90.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod90.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod91.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod91.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod92.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod92.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod93.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod93.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod94.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod94.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod95.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod95.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod96.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod96.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod97.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod97.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod98.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod98.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod99.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod99.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod100.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod100.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod101.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod101.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod102.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod102.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod103.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod103.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod104.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod104.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod105.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod105.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod106.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod106.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod107.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod107.mdcrd trajin 124_1SVT_chainA_MGADP_prod107.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod107.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod108.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod108.mdcrd trajin 124_1SVT_chainA_MGADP_prod108.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod108.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod109.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod109.mdcrd trajin 124_1SVT_chainA_MGADP_prod109.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod109.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod110.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod110.mdcrd trajin 124_1SVT_chainA_MGADP_prod110.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod110.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod111.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod111.mdcrd trajin 124_1SVT_chainA_MGADP_prod111.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod111.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod112.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod112.mdcrd trajin 124_1SVT_chainA_MGADP_prod112.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod112.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod113.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod113.mdcrd trajin 124_1SVT_chainA_MGADP_prod113.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod113.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod114.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod114.mdcrd trajin 124_1SVT_chainA_MGADP_prod114.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod114.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod115.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod115.mdcrd trajin 124_1SVT_chainA_MGADP_prod115.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod115.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod116.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod116.mdcrd trajin 124_1SVT_chainA_MGADP_prod116.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod116.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod117.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod117.mdcrd trajin 124_1SVT_chainA_MGADP_prod117.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod117.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod118.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod118.mdcrd trajin 124_1SVT_chainA_MGADP_prod118.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod118.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod119.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod119.mdcrd trajin 124_1SVT_chainA_MGADP_prod119.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod119.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod120.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod120.mdcrd trajin 124_1SVT_chainA_MGADP_prod120.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod120.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod121.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod121.mdcrd trajin 124_1SVT_chainA_MGADP_prod121.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod121.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod122.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod122.mdcrd trajin 124_1SVT_chainA_MGADP_prod122.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod122.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod123.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod123.mdcrd trajin 124_1SVT_chainA_MGADP_prod123.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod123.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod124.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod124.mdcrd trajin 124_1SVT_chainA_MGADP_prod124.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod124.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod125.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod125.mdcrd trajin 124_1SVT_chainA_MGADP_prod125.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod125.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod126.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod126.mdcrd trajin 124_1SVT_chainA_MGADP_prod126.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod126.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod127.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod127.mdcrd trajin 124_1SVT_chainA_MGADP_prod127.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod127.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod128.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod128.mdcrd trajin 124_1SVT_chainA_MGADP_prod128.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod128.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod129.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod129.mdcrd trajin 124_1SVT_chainA_MGADP_prod129.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod129.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod130.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod130.mdcrd trajin 124_1SVT_chainA_MGADP_prod130.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod130.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod131.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod131.mdcrd trajin 124_1SVT_chainA_MGADP_prod131.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod131.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod132.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod132.mdcrd trajin 124_1SVT_chainA_MGADP_prod132.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod132.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod133.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod133.mdcrd trajin 124_1SVT_chainA_MGADP_prod133.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod133.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod134.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod134.mdcrd trajin 124_1SVT_chainA_MGADP_prod134.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod134.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod135.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod135.mdcrd trajin 124_1SVT_chainA_MGADP_prod135.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod135.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod136.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod136.mdcrd trajin 124_1SVT_chainA_MGADP_prod136.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod136.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod137.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod137.mdcrd trajin 124_1SVT_chainA_MGADP_prod137.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod137.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod138.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod138.mdcrd trajin 124_1SVT_chainA_MGADP_prod138.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod138.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod139.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod139.mdcrd trajin 124_1SVT_chainA_MGADP_prod139.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod139.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod140.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod140.mdcrd trajin 124_1SVT_chainA_MGADP_prod140.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod140.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod141.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod141.mdcrd trajin 124_1SVT_chainA_MGADP_prod141.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod141.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod142.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod142.mdcrd trajin 124_1SVT_chainA_MGADP_prod142.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod142.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod143.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod143.mdcrd trajin 124_1SVT_chainA_MGADP_prod143.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod143.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod144.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod144.mdcrd trajin 124_1SVT_chainA_MGADP_prod144.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod144.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod145.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod145.mdcrd trajin 124_1SVT_chainA_MGADP_prod145.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod145.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod146.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod146.mdcrd trajin 124_1SVT_chainA_MGADP_prod146.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod146.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod147.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod147.mdcrd trajin 124_1SVT_chainA_MGADP_prod147.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod147.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod148.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod148.mdcrd trajin 124_1SVT_chainA_MGADP_prod148.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod148.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod149.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod149.mdcrd trajin 124_1SVT_chainA_MGADP_prod149.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod149.mdcrd) PTRAJ: trajin 124_1SVT_chainA_MGADP_prod150.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod150.mdcrd trajin 124_1SVT_chainA_MGADP_prod150.mdcrd ignored; could not open file (124_1SVT_chainA_MGADP_prod150.mdcrd) PTRAJ: rms first mass out rmsd.dat @N,CA,C time 10.0 Mask [@N,CA,C] represents 1572 atoms PTRAJ: rms first mass out rmsd_apical.dat :192-374@N,CA,C time 10.0 Mask [:192-374@N,CA,C] represents 549 atoms PTRAJ: rms first mass out rmsd_equatorial.dat :1-136,410-524@N,CA,C time 10.0 Mask [:1-136,410-524@N,CA,C] represents 753 atoms PTRAJ: rms first mass out rmsd_intermediate.dat :137-191,375-409@N,CA,C time 10.0 Mask [:137-191,375-409@N,CA,C] represents 270 atoms [No output trajectory specified (trajout)] PTRAJ: Successfully read the input file. Coordinate processing will occur on 10376 frames. Summary of I/O and actions follows: INPUT COORDINATE FILES File (124_1SVT_chainA_MGADP_prod1.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod2.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod3.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod4.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod5.mdcrd) is a NetCDF AMBER trajectory with box info with 55 sets File (124_1SVT_chainA_MGADP_prod6.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod7.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod8.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod9.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod10.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod11.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod12.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod13.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod14.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod15.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod16.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod17.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod18.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod19.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod20.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod21.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod22.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod23.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod24.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod25.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod26.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod27.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod28.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod29.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod30.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod31.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod32.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod33.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod34.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod35.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod36.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod37.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod38.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod39.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod40.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod41.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod42.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod43.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod44.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod45.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod46.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod47.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod48.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod49.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod50.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod51.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod52.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod53.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod54.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod55.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod56.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod57.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod58.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod59.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod60.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod61.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod62.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod63.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod64.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod65.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod66.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod67.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod68.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod69.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod70.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod71.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod72.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod73.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod74.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod75.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod76.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod77.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod78.mdcrd) is a NetCDF AMBER trajectory with box info with 1 sets File (124_1SVT_chainA_MGADP_prod79.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod80.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod81.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod82.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod83.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod84.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod85.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod86.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod87.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod88.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod89.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod90.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod91.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod92.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod93.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod94.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod95.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod96.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod97.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod98.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod99.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod100.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod101.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod102.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod103.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod104.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod105.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod106.mdcrd) is a NetCDF AMBER trajectory with box info with 20 sets NO OUTPUT COORDINATE FILE WAS SPECIFIED ACTIONS 1> RMS to first frame using mass weighting Dumping RMSd vs. time (with time interval 10.00) to a file named rmsd.dat Atom selection follows :1-524@N,CA,C 2> RMS to first frame using mass weighting Dumping RMSd vs. time (with time interval 10.00) to a file named rmsd_apical.dat Atom selection follows :192-374@N,CA,C 3> RMS to first frame using mass weighting Dumping RMSd vs. time (with time interval 10.00) to a file named rmsd_equatorial.dat Atom selection follows :1-136@N,CA,C,:410-524@N,CA,C 4> RMS to first frame using mass weighting Dumping RMSd vs. time (with time interval 10.00) to a file named rmsd_intermediate.dat Atom selection follows :137-191@N,CA,C,:375-409@N,CA,C Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ..... Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 . Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 .................... PTRAJ: Successfully read in 10376 sets and processed 10376 sets. Dumping accumulated results (if any) PTRAJ RMS: dumping RMSd vs time data PTRAJ RMS: dumping RMSd vs time data PTRAJ RMS: dumping RMSd vs time data PTRAJ RMS: dumping RMSd vs time data \-/ -/- PTRAJ: a utility for processing trajectory files /-\ \-/ Version: "AMBER 10.0 integrated" (2/15/2008) -/- Executable is: "ptraj" /-\ \-/ Residue labels: ALA ALA LYS ASP VAL LYS PHE GLY ASN ASP ALA ARG VAL LYS MET LEU ARG GLY VAL ASN VAL LEU ALA ASP ALA VAL LYS VAL THR LEU GLY PRO LYS GLY ARG ASN VAL VAL LEU ASP LYS SER PHE GLY ALA PRO THR ILE THR LYS ASP GLY VAL SER VAL ALA ARG GLU ILE GLU LEU GLU ASP LYS PHE GLU ASN MET GLY ALA GLN MET VAL LYS GLU VAL ALA SER LYS ALA ASN ASP ALA ALA GLY ASP GLY THR THR THR ALA THR VAL LEU ALA GLN ALA ILE ILE THR GLU GLY LEU LYS ALA VAL ALA ALA GLY MET ASN PRO MET ASP LEU LYS ARG GLY ILE ASP LYS ALA VAL THR ALA ALA VAL GLU GLU LEU LYS ALA LEU SER VAL PRO CYS SER ASP SER LYS ALA ILE ALA GLN VAL GLY THR ILE SER ALA ASN SER ASP GLU THR VAL GLY LYS LEU ILE ALA GLU ALA MET ASP LYS VAL GLY LYS GLU GLY VAL ILE THR VAL GLU ASP GLY THR GLY LEU GLN ASP GLU LEU ASP VAL VAL GLU GLY MET GLN PHE ASP ARG GLY TYR LEU SER PRO TYR PHE ILE ASN LYS PRO GLU THR GLY ALA VAL GLU LEU GLU SER PRO PHE ILE LEU LEU ALA ASP LYS LYS ILE SER ASN ILE ARG GLU MET LEU PRO VAL LEU GLU ALA VAL ALA LYS ALA GLY LYS PRO LEU LEU ILE ILE ALA GLU ASP VAL GLU GLY GLU ALA LEU ALA THR LEU VAL VAL ASN THR MET ARG GLY ILE VAL LYS VAL ALA ALA VAL LYS ALA PRO GLY PHE GLY ASP ARG ARG LYS ALA MET LEU GLN ASP ILE ALA THR LEU THR GLY GLY THR VAL ILE SER GLU GLU ILE GLY MET GLU LEU GLU LYS ALA THR LEU GLU ASP LEU GLY GLN ALA LYS ARG VAL VAL ILE ASN LYS ASP THR THR THR ILE ILE ASP GLY VAL GLY GLU GLU ALA ALA ILE GLN GLY ARG VAL ALA GLN ILE ARG GLN GLN ILE GLU GLU ALA THR SER ASP TYR ASP ARG GLU LYS LEU GLN GLU ARG VAL ALA LYS LEU ALA GLY GLY VAL ALA VAL ILE LYS VAL GLY ALA ALA THR GLU VAL GLU MET LYS GLU LYS LYS ALA ARG VAL GLU ASP ALA LEU HID ALA THR ARG ALA ALA VAL GLU GLU GLY VAL VAL ALA GLY GLY GLY VAL ALA LEU ILE ARG VAL ALA SER LYS LEU ALA ASP LEU ARG GLY GLN ASN GLU ASP GLN ASN VAL GLY ILE LYS VAL ALA LEU ARG ALA MET GLU ALA PRO LEU ARG GLN ILE VAL LEU ASN CYS GLY GLU GLU PRO SER VAL VAL ALA ASN THR VAL LYS GLY GLY ASP GLY ASN TYR GLY TYR ASN ALA ALA THR GLU GLU TYR GLY ASN MET ILE ASP MET GLY ILE LEU ASP PRO THR LYS VAL THR ARG SER ALA LEU GLN TYR ALA ALA SER VAL ALA GLY LEU MET ILE THR THR GLU CYS MET VAL THR ASP LEU PRO ADP MG2 WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT ... WAT Setting box to be an exact truncated octahedron, angle is 109.471221 PTRAJ: Processing input from file qha.ptraj PTRAJ: trajin 124_1SVT_chainA_MGADP_prod10.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod10.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod11.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod11.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod12.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod12.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod13.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod13.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod14.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod14.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod15.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod15.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod16.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod16.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod17.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod17.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod18.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod18.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod19.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod19.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod20.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod20.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod21.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod21.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod22.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod22.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod23.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod23.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod24.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod24.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod25.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod25.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod26.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod26.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod27.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod27.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod28.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod28.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod29.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod29.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod30.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod30.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod31.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod31.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod32.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod32.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod33.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod33.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod34.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod34.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod35.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod35.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod36.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod36.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod37.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod37.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod38.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod38.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod39.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod39.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod40.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod40.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod41.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod41.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod42.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod42.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod43.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod43.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod44.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod44.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod45.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod45.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod46.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod46.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod47.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod47.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod48.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod48.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod49.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod49.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod50.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod50.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod51.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod51.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod52.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod52.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod53.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod53.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod54.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod54.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod55.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod55.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod56.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod56.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod57.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod57.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod58.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod58.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod59.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod59.mdcrd PTRAJ: trajin 124_1SVT_chainA_MGADP_prod60.mdcrd Checking coordinates: 124_1SVT_chainA_MGADP_prod60.mdcrd PTRAJ: reference ../1SVT_chainA_sol.inpcrd trajin ../1SVT_chainA_sol.inpcrd ignored; could not open file (../1SVT_chainA_sol.inpcrd) PTRAJ: strip :WAT Mask [:WAT] represents 120525 atoms PTRAJ: rms reference mass @N,CA,C WARNING in ptraj(), rms to reference: missing reference structure. Set this prior to this rms with the command "reference" Ignoring command... PTRAJ: matrix correl @CA out correlmat.dat Mask [@CA] represents 524 atoms [No output trajectory specified (trajout)] PTRAJ: Successfully read the input file. Coordinate processing will occur on 5100 frames. Summary of I/O and actions follows: INPUT COORDINATE FILES File (124_1SVT_chainA_MGADP_prod10.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod11.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod12.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod13.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod14.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod15.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod16.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod17.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod18.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod19.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod20.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod21.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod22.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod23.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod24.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod25.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod26.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod27.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod28.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod29.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod30.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod31.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod32.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod33.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod34.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod35.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod36.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod37.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod38.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod39.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod40.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod41.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod42.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod43.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod44.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod45.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod46.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod47.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod48.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod49.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod50.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod51.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod52.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod53.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod54.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod55.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod56.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod57.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod58.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod59.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets File (124_1SVT_chainA_MGADP_prod60.mdcrd) is a NetCDF AMBER trajectory with box info with 100 sets NO OUTPUT COORDINATE FILE WAS SPECIFIED ACTIONS 1> STRIP: 120525 atoms will be removed from trajectory: :527-40701 2> MATRIX: Calculating correlation matrix by atom, dumping to file correlmat.dat, using no mass weighting Atom selection 1 follows :1-524@CA Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 Set 1 ................................................. Set 50 ................................................. Set 100 PTRAJ: Successfully read in 5100 sets and processed 5100 sets. Dumping accumulated results (if any) PTRAJ MATRIX: Dumping matrix values