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FFTW_NAMD_2.9_MacOSX-x86_64-multicore.txt | 2016-04-05 12:42 | 1.7K | ||
analysis_contacts.sh | 2016-04-05 12:42 | 2.9K | ||
analysis_hydrocontacts_justchol.sh | 2016-04-05 12:42 | 1.9K | ||
cellsize.sh | 2016-04-05 12:42 | 2.8K | ||
equil2.xst | 2016-04-05 12:42 | 22K | ||
equil3.vel | 2016-04-05 12:42 | 2.5M | ||
namd.o1718367 | 2016-04-05 12:42 | 487 | ||
prod1.vel | 2016-04-05 12:42 | 776K | ||
prod1.xsc | 2016-04-05 12:42 | 266 | ||
submit_namd_128.pbs | 2016-04-05 12:42 | 254 | ||
system.pdb | 2016-04-05 12:42 | 2.5M | ||
wrapfit2.tcl | 2016-04-05 12:42 | 580 | ||
FFTW_NAMD_2.10_CRAY-XE-MPI.txt | 2016-04-05 12:42 | 3.2K | ||
analysis_hbonds.sh | 2016-04-05 12:42 | 2.8K | ||
mini.dcd | 2016-04-05 12:42 | 6.1M | ||
mini.xsc | 2016-04-05 12:42 | 152 | ||
mini.xst | 2016-04-05 12:42 | 3.3K | ||
namd.o1718368 | 2016-04-05 12:42 | 487 | ||
ppequil1.conf | 2016-04-05 12:42 | 1.7K | ||
prod2.xsc | 2016-04-05 12:42 | 265 | ||
prod2.xst | 2016-04-05 12:42 | 521K | ||
prod_final.dcd | 2016-04-05 12:43 | 3.7G | ||
dimensions | 2016-04-05 12:43 | 207 | ||
prod1.dcd | 2016-04-05 12:44 | 2.2G | ||
analysis_contacts_NC3.sh | 2016-04-05 12:44 | 1.4K | ||
equil1.vel | 2016-04-05 12:44 | 2.5M | ||
equil1.xsc | 2016-04-05 12:44 | 248 | ||
equil3.xst | 2016-04-05 12:44 | 25K | ||
mini.pdb | 2016-04-05 12:44 | 2.5M | ||
mini.vel | 2016-04-05 12:44 | 2.5M | ||
namd.e1718368 | 2016-04-05 12:44 | 0 | ||
ppequil2.conf | 2016-04-05 12:44 | 1.6K | ||
ppequil3.conf | 2016-04-05 12:44 | 1.6K | ||
submit_namd_512.pbs | 2016-04-05 12:44 | 254 | ||
prod_time.xtc | 2016-04-05 12:44 | 116M | ||
analysis_contacts.plg | 2016-04-05 12:44 | 692 | ||
catdcd.sh | 2016-04-05 12:44 | 419 | ||
index_nc3.ndx | 2016-04-05 12:44 | 750K | ||
namd.o1718365 | 2016-04-05 12:44 | 487 | ||
ppprod2.conf | 2016-04-05 12:44 | 1.6K | ||
prod2.vel | 2016-04-05 12:44 | 2.5M | ||
submit_namd_256.pbs | 2016-04-05 12:44 | 254 | ||
analysis_contacts_ROH.sh | 2016-04-05 12:44 | 1.4K | ||
analysis_hydrocontacts_withoutca.sh | 2016-04-05 12:44 | 2.0K | ||
dist_POP_r14_z.xvg | 2016-04-05 12:44 | 0 | ||
equil2.coor | 2016-04-05 12:44 | 2.5M | ||
equil2.vel | 2016-04-05 12:44 | 2.5M | ||
equil2.xsc | 2016-04-05 12:44 | 248 | ||
equil3.coor | 2016-04-05 12:44 | 2.5M | ||
index_roh.ndx | 2016-04-05 12:44 | 750K | ||
namd.e1718366 | 2016-04-05 12:44 | 0 | ||
rmsd.xvg | 2016-04-05 12:44 | 27K | ||
equil1.dcd | 2016-04-05 12:44 | 76M | ||
prod2.coor | 2016-04-05 12:44 | 2.5M | ||
equil1.coor | 2016-04-05 12:44 | 2.5M | ||
index_aa.ndx | 2016-04-05 12:44 | 769K | ||
namd.e1718365 | 2016-04-05 12:44 | 0 | ||
namd.o1718366 | 2016-04-05 12:44 | 487 | ||
ppmini.conf | 2016-04-05 12:44 | 1.6K | ||
prod1.xst | 2016-04-05 12:44 | 746K | ||
prod2.dcd | 2016-04-05 12:44 | 1.5G | ||
system.psf | 2016-04-05 12:44 | 5.5M | ||
equil2.dcd | 2016-04-05 12:44 | 76M | ||
equil3.xsc | 2016-04-05 12:44 | 263 | ||
namd.e1720171 | 2016-04-05 12:44 | 0 | ||
namd.o1720171 | 2016-04-05 12:44 | 487 | ||
ppprod3.conf | 2016-04-05 12:44 | 1.7K | ||
ppprod4.conf | 2016-04-05 12:44 | 1.7K | ||
ppprod5.conf | 2016-04-05 12:44 | 1.7K | ||
submit.sh | 2016-04-05 12:44 | 1.4K | ||
system.tpr | 2016-04-05 12:44 | 1.0M | ||
mini.coor | 2016-04-05 12:44 | 2.5M | ||
namd.e1718367 | 2016-04-05 12:44 | 0 | ||
ppprod1.conf | 2016-04-05 12:44 | 1.5K | ||
analysis_hydrocontacts.sh | 2016-04-05 12:44 | 1.9K | ||
equil1.xst | 2016-04-05 12:44 | 22K | ||
equil3.dcd | 2016-04-05 12:44 | 76M | ||
prod1.coor | 2016-04-05 12:44 | 776K | ||
namd.e1718366.md5 | 2021-12-01 19:12 | 32 | ||
namd.o1718367.md5 | 2021-12-01 19:12 | 32 | ||
equil3.xst.md5 | 2021-12-01 19:12 | 32 | ||
prod1.coor.md5 | 2021-12-01 19:12 | 32 | ||
prod1.vel.md5 | 2021-12-01 19:12 | 32 | ||
index_roh.ndx.md5 | 2021-12-01 19:12 | 32 | ||
submit_namd_512.pbs.md5 | 2021-12-01 19:12 | 32 | ||
system.tpr.md5 | 2021-12-01 19:12 | 32 | ||
namd.e1720171.md5 | 2021-12-01 19:12 | 32 | ||
equil2.coor.md5 | 2021-12-01 19:12 | 32 | ||
FFTW_NAMD_2.9_MacOSX-x86_64-multicore.txt.md5 | 2021-12-01 19:12 | 32 | ||
equil2.dcd.md5 | 2021-12-01 19:12 | 32 | ||
equil1.vel.md5 | 2021-12-01 19:12 | 32 | ||
cellsize.sh.md5 | 2021-12-01 19:12 | 32 | ||
analysis_contacts.sh.md5 | 2021-12-01 19:12 | 32 | ||
namd.o1718366.md5 | 2021-12-01 19:12 | 32 | ||
rmsd.xvg.md5 | 2021-12-01 19:12 | 32 | ||
mini.vel.md5 | 2021-12-01 19:12 | 32 | ||
namd.e1718368.md5 | 2021-12-01 19:12 | 32 | ||
system.psf.md5 | 2021-12-01 19:12 | 32 | ||
equil3.vel.md5 | 2021-12-01 19:12 | 32 | ||
prod1.xst.md5 | 2021-12-01 19:12 | 32 | ||
submit.sh.md5 | 2021-12-01 19:12 | 32 | ||
equil1.xst.md5 | 2021-12-01 19:12 | 32 | ||
index_aa.ndx.md5 | 2021-12-01 19:12 | 32 | ||
analysis_contacts.plg.md5 | 2021-12-01 19:12 | 32 | ||
ppequil3.conf.md5 | 2021-12-01 19:12 | 32 | ||
mini.pdb.md5 | 2021-12-01 19:12 | 32 | ||
equil1.dcd.md5 | 2021-12-01 19:12 | 32 | ||
system.pdb.md5 | 2021-12-01 19:12 | 32 | ||
mini.xst.md5 | 2021-12-01 19:12 | 32 | ||
prod2.vel.md5 | 2021-12-01 19:12 | 32 | ||
equil2.xsc.md5 | 2021-12-01 19:12 | 32 | ||
namd.e1718365.md5 | 2021-12-01 19:12 | 32 | ||
wrapfit2.tcl.md5 | 2021-12-01 19:12 | 32 | ||
submit_namd_128.pbs.md5 | 2021-12-01 19:12 | 32 | ||
mini.xsc.md5 | 2021-12-01 19:12 | 32 | ||
catdcd.sh.md5 | 2021-12-01 19:12 | 32 | ||
namd.o1718365.md5 | 2021-12-01 19:12 | 32 | ||
prod2.coor.md5 | 2021-12-01 19:12 | 32 | ||
prod_time.xtc.md5 | 2021-12-01 19:12 | 32 | ||
FFTW_NAMD_2.10_CRAY-XE-MPI.txt.md5 | 2021-12-01 19:12 | 32 | ||
equil3.xsc.md5 | 2021-12-01 19:12 | 32 | ||
prod_final.dcd.md5 | 2021-12-01 19:12 | 32 | ||
namd.o1718368.md5 | 2021-12-01 19:12 | 32 | ||
ppmini.conf.md5 | 2021-12-01 19:12 | 32 | ||
ppprod4.conf.md5 | 2021-12-01 19:12 | 32 | ||
prod2.dcd.md5 | 2021-12-01 19:12 | 32 | ||
prod2.xsc.md5 | 2021-12-01 19:12 | 32 | ||
ppequil2.conf.md5 | 2021-12-01 19:12 | 32 | ||
equil1.xsc.md5 | 2021-12-01 19:12 | 32 | ||
analysis_contacts_NC3.sh.md5 | 2021-12-01 19:12 | 32 | ||
equil1.coor.md5 | 2021-12-01 19:12 | 32 | ||
ppprod3.conf.md5 | 2021-12-01 19:12 | 32 | ||
analysis_hydrocontacts_justchol.sh.md5 | 2021-12-01 19:12 | 32 | ||
prod1.dcd.md5 | 2021-12-01 19:12 | 32 | ||
analysis_contacts_ROH.sh.md5 | 2021-12-01 19:12 | 32 | ||
namd.o1720171.md5 | 2021-12-01 19:12 | 32 | ||
analysis_hbonds.sh.md5 | 2021-12-01 19:12 | 32 | ||
ppprod2.conf.md5 | 2021-12-01 19:12 | 32 | ||
equil2.xst.md5 | 2021-12-01 19:12 | 32 | ||
mini.dcd.md5 | 2021-12-01 19:12 | 32 | ||
submit_namd_256.pbs.md5 | 2021-12-01 19:12 | 32 | ||
dist_POP_r14_z.xvg.md5 | 2021-12-01 19:12 | 32 | ||
dimensions.md5 | 2021-12-01 19:12 | 32 | ||
equil3.coor.md5 | 2021-12-01 19:12 | 32 | ||
namd.e1718367.md5 | 2021-12-01 19:12 | 32 | ||
equil3.dcd.md5 | 2021-12-01 19:12 | 32 | ||
analysis_hydrocontacts.sh.md5 | 2021-12-01 19:12 | 32 | ||
mini.coor.md5 | 2021-12-01 19:12 | 32 | ||
ppprod5.conf.md5 | 2021-12-01 19:12 | 32 | ||
prod2.xst.md5 | 2021-12-01 19:12 | 32 | ||
ppequil1.conf.md5 | 2021-12-01 19:12 | 32 | ||
equil2.vel.md5 | 2021-12-01 19:12 | 32 | ||
index_nc3.ndx.md5 | 2021-12-01 19:12 | 32 | ||
prod1.xsc.md5 | 2021-12-01 19:12 | 32 | ||
ppprod1.conf.md5 | 2021-12-01 19:12 | 32 | ||
analysis_hydrocontacts_withoutca.sh.md5 | 2021-12-01 19:12 | 32 | ||
mindistnum_NC3/ | 2021-12-01 19:12 | - | ||
mindistnum/ | 2021-12-01 19:12 | - | ||
mindistnum_hydro/ | 2021-12-01 19:12 | - | ||
mindistnum_hydro_justchol/ | 2021-12-01 19:12 | - | ||
mindistnum_ROH/ | 2021-12-01 19:12 | - | ||
systemsetup/ | 2021-12-01 19:12 | - | ||
lib/ | 2021-12-01 19:12 | - | ||
hbonds/ | 2021-12-01 19:12 | - | ||