\-/ -/- PTRAJ: a utility for processing trajectory files /-\ \-/ Version: "AMBER 11.0 integrated" (4/2010) -/- Executable is: "/net/bccs/cbu/linux64/amber11/bin/ptraj" /-\ Running on 1 processor(s) \-/ Residue labels: ADP MG2 PTRAJ: Processing input from file _MMPBSA_ligandinpcrd.in PTRAJ: trajin _MMPBSA_ligand.mdcrd 1 1 1 Checking coordinates: _MMPBSA_ligand.mdcrd Rank: 0 Atoms: 40 FrameSize: 972 TitleSize: 30 NumBox: 0 Seekable 1 PTRAJ: trajout _MMPBSA_dummyligand.inpcrd restart PTRAJ: Successfully read the input file. Coordinate processing will occur on 1 frames. Summary of I/O and actions follows: INPUT COORDINATE FILES File (_MMPBSA_ligand.mdcrd) is an AMBER trajectory with 1 sets OUTPUT COORDINATE FILE File (_MMPBSA_dummyligand.inpcrd) is an AMBER restart file NO ACTIONS WERE SPECIFIED Processing AMBER trajectory file _MMPBSA_ligand.mdcrd 100% PTRAJ: Successfully read in 1 sets and processed 1 sets. Dumping accumulated results (if any)