Name | Last modified | Size | Description | |
---|---|---|---|---|
Parent Directory | - | |||
FFTW_NAMD_2.9_CRAY-XT-MPI.txt | 2014-05-20 14:40 | 1.3K | ||
FFTW_NAMD_2.9_CRAY-XT-MPI.txt.md5 | 2021-12-01 19:19 | 32 | ||
analysis_hbonds.sh | 2016-04-04 11:32 | 1.6K | ||
analysis_hbonds.sh.md5 | 2021-12-01 19:19 | 32 | ||
catwrapfit.sh | 2014-05-26 11:21 | 270 | ||
catwrapfit.sh.md5 | 2021-12-01 19:19 | 32 | ||
density_Asp.tcl | 2015-05-08 11:38 | 2.0K | ||
density_Asp.tcl.md5 | 2021-12-01 19:19 | 32 | ||
density_asp.dat | 2015-05-08 11:38 | 18 | ||
density_asp.dat.md5 | 2021-12-01 19:19 | 32 | ||
equil1.coor | 2014-05-20 14:11 | 2.5M | ||
equil1.coor.BAK | 2014-05-20 14:11 | 757K | ||
equil1.coor.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil1.coor.md5 | 2021-12-01 19:19 | 32 | ||
equil1.coor.old | 2014-05-20 14:11 | 757K | ||
equil1.coor.old.md5 | 2021-12-01 19:19 | 32 | ||
equil1.dcd | 2014-05-20 14:11 | 74M | ||
equil1.dcd.md5 | 2021-12-01 19:19 | 32 | ||
equil1.vel | 2014-05-20 14:11 | 2.5M | ||
equil1.vel.BAK | 2014-05-20 14:11 | 757K | ||
equil1.vel.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil1.vel.md5 | 2021-12-01 19:19 | 32 | ||
equil1.vel.old | 2014-05-20 14:11 | 757K | ||
equil1.vel.old.md5 | 2021-12-01 19:19 | 32 | ||
equil1.xsc | 2014-05-20 14:11 | 242 | ||
equil1.xsc.BAK | 2014-05-20 14:11 | 243 | ||
equil1.xsc.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil1.xsc.md5 | 2021-12-01 19:19 | 32 | ||
equil1.xsc.old | 2014-05-20 14:11 | 242 | ||
equil1.xsc.old.md5 | 2021-12-01 19:19 | 32 | ||
equil1.xst | 2014-05-20 14:11 | 21K | ||
equil1.xst.md5 | 2021-12-01 19:19 | 32 | ||
equil2.coor | 2014-05-20 14:25 | 2.5M | ||
equil2.coor.BAK | 2014-05-20 14:25 | 757K | ||
equil2.coor.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil2.coor.md5 | 2021-12-01 19:19 | 32 | ||
equil2.coor.old | 2014-05-20 14:25 | 757K | ||
equil2.coor.old.md5 | 2021-12-01 19:19 | 32 | ||
equil2.dcd | 2014-05-20 14:25 | 74M | ||
equil2.dcd.md5 | 2021-12-01 19:19 | 32 | ||
equil2.vel | 2014-05-20 14:25 | 2.5M | ||
equil2.vel.BAK | 2014-05-20 14:25 | 757K | ||
equil2.vel.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil2.vel.md5 | 2021-12-01 19:19 | 32 | ||
equil2.vel.old | 2014-05-20 14:25 | 757K | ||
equil2.vel.old.md5 | 2021-12-01 19:19 | 32 | ||
equil2.xsc | 2014-05-20 14:25 | 244 | ||
equil2.xsc.BAK | 2014-05-20 14:25 | 245 | ||
equil2.xsc.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil2.xsc.md5 | 2021-12-01 19:19 | 32 | ||
equil2.xsc.old | 2014-05-20 14:25 | 242 | ||
equil2.xsc.old.md5 | 2021-12-01 19:19 | 32 | ||
equil2.xst | 2014-05-20 14:25 | 21K | ||
equil2.xst.md5 | 2021-12-01 19:19 | 32 | ||
equil3.coor | 2014-05-20 14:40 | 2.5M | ||
equil3.coor.BAK | 2014-05-20 14:40 | 757K | ||
equil3.coor.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil3.coor.md5 | 2021-12-01 19:19 | 32 | ||
equil3.coor.old | 2014-05-20 14:40 | 757K | ||
equil3.coor.old.md5 | 2021-12-01 19:19 | 32 | ||
equil3.dcd | 2014-05-20 14:40 | 74M | ||
equil3.dcd.md5 | 2021-12-01 19:19 | 32 | ||
equil3.vel | 2014-05-20 14:40 | 2.5M | ||
equil3.vel.BAK | 2014-05-20 14:40 | 757K | ||
equil3.vel.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil3.vel.md5 | 2021-12-01 19:19 | 32 | ||
equil3.vel.old | 2014-05-20 14:40 | 757K | ||
equil3.vel.old.md5 | 2021-12-01 19:19 | 32 | ||
equil3.xsc | 2014-05-20 14:40 | 243 | ||
equil3.xsc.BAK | 2014-05-20 14:40 | 244 | ||
equil3.xsc.BAK.md5 | 2021-12-01 19:19 | 32 | ||
equil3.xsc.md5 | 2021-12-01 19:19 | 32 | ||
equil3.xsc.old | 2014-05-20 14:40 | 244 | ||
equil3.xsc.old.md5 | 2021-12-01 19:19 | 32 | ||
equil3.xst | 2014-05-20 14:40 | 21K | ||
equil3.xst.md5 | 2021-12-01 19:19 | 32 | ||
hbonds/ | 2021-12-01 19:19 | - | ||
index_aa.ndx | 2016-04-04 11:33 | 732K | ||
index_aa.ndx.md5 | 2021-12-01 19:19 | 32 | ||
lib/ | 2021-12-01 19:19 | - | ||
mini.coor | 2014-05-20 13:57 | 2.5M | ||
mini.coor.BAK | 2014-05-20 13:57 | 757K | ||
mini.coor.BAK.md5 | 2021-12-01 19:19 | 32 | ||
mini.coor.md5 | 2021-12-01 19:19 | 32 | ||
mini.coor.old | 2014-05-20 13:57 | 757K | ||
mini.coor.old.md5 | 2021-12-01 19:19 | 32 | ||
mini.dcd | 2014-05-20 13:57 | 5.9M | ||
mini.dcd.md5 | 2021-12-01 19:19 | 32 | ||
mini.vel | 2014-05-20 13:57 | 2.5M | ||
mini.vel.BAK | 2014-05-20 13:57 | 757K | ||
mini.vel.BAK.md5 | 2021-12-01 19:19 | 32 | ||
mini.vel.md5 | 2021-12-01 19:19 | 32 | ||
mini.vel.old | 2014-05-20 13:57 | 757K | ||
mini.vel.old.md5 | 2021-12-01 19:19 | 32 | ||
mini.xsc | 2014-05-20 13:57 | 172 | ||
mini.xsc.BAK | 2014-05-20 13:57 | 173 | ||
mini.xsc.BAK.md5 | 2021-12-01 19:19 | 32 | ||
mini.xsc.md5 | 2021-12-01 19:19 | 32 | ||
mini.xsc.old | 2014-05-20 13:57 | 173 | ||
mini.xsc.old.md5 | 2021-12-01 19:19 | 32 | ||
mini.xst | 2014-05-20 13:57 | 4.9K | ||
mini.xst.md5 | 2021-12-01 19:19 | 32 | ||
namd.e1350480 | 2014-05-20 13:56 | 0 | ||
namd.e1350480.md5 | 2021-12-01 19:19 | 32 | ||
namd.e1350481 | 2014-05-20 13:57 | 0 | ||
namd.e1350481.md5 | 2021-12-01 19:19 | 32 | ||
namd.e1350482 | 2014-05-20 14:11 | 0 | ||
namd.e1350482.md5 | 2021-12-01 19:19 | 32 | ||
namd.e1350483 | 2014-05-20 14:25 | 0 | ||
namd.e1350483.md5 | 2021-12-01 19:19 | 32 | ||
namd.e1350484 | 2014-05-20 14:40 | 0 | ||
namd.e1350484.md5 | 2021-12-01 19:19 | 32 | ||
namd.o1350480 | 2014-05-20 13:57 | 511 | ||
namd.o1350480.md5 | 2021-12-01 19:19 | 32 | ||
namd.o1350481 | 2014-05-20 14:11 | 512 | ||
namd.o1350481.md5 | 2021-12-01 19:19 | 32 | ||
namd.o1350482 | 2014-05-20 14:25 | 512 | ||
namd.o1350482.md5 | 2021-12-01 19:19 | 32 | ||
namd.o1350483 | 2014-05-20 14:40 | 511 | ||
namd.o1350483.md5 | 2021-12-01 19:19 | 32 | ||
namd.o1350484 | 2014-05-25 11:18 | 514 | ||
namd.o1350484.md5 | 2021-12-01 19:19 | 32 | ||
ppequil1.conf | 2014-03-10 10:44 | 1.7K | ||
ppequil1.conf.md5 | 2021-12-01 19:19 | 32 | ||
ppequil1.log | 2014-05-20 14:11 | 315K | ||
ppequil1.log.md5 | 2021-12-01 19:19 | 32 | ||
ppequil2.conf | 2014-03-07 17:25 | 1.5K | ||
ppequil2.conf.md5 | 2021-12-01 19:19 | 32 | ||
ppequil2.log | 2014-05-20 14:25 | 316K | ||
ppequil2.log.md5 | 2021-12-01 19:19 | 32 | ||
ppequil3.conf | 2014-03-07 17:25 | 1.5K | ||
ppequil3.conf.md5 | 2021-12-01 19:19 | 32 | ||
ppequil3.log | 2014-05-20 14:40 | 315K | ||
ppequil3.log.md5 | 2021-12-01 19:19 | 32 | ||
ppmini.conf | 2014-03-10 14:37 | 1.6K | ||
ppmini.conf.md5 | 2021-12-01 19:19 | 32 | ||
ppmini.log | 2014-05-20 13:57 | 2.4M | ||
ppmini.log.md5 | 2021-12-01 19:19 | 32 | ||
ppprod1.conf | 2014-03-10 15:05 | 1.5K | ||
ppprod1.conf.md5 | 2021-12-01 19:19 | 32 | ||
ppprod1.log | 2014-05-25 11:18 | 113M | ||
ppprod1.log.md5 | 2021-12-01 19:19 | 32 | ||
prod1.coor | 2014-05-25 11:18 | 2.5M | ||
prod1.coor.BAK | 2014-05-25 11:18 | 757K | ||
prod1.coor.BAK.md5 | 2021-12-01 19:19 | 32 | ||
prod1.coor.md5 | 2021-12-01 19:19 | 32 | ||
prod1.coor.old | 2014-05-25 11:18 | 757K | ||
prod1.coor.old.md5 | 2021-12-01 19:19 | 32 | ||
prod1.dcd | 2014-05-25 11:18 | 3.6G | ||
prod1.dcd.md5 | 2021-12-01 19:19 | 32 | ||
prod1.vel | 2014-05-25 11:18 | 2.5M | ||
prod1.vel.BAK | 2014-05-25 11:18 | 757K | ||
prod1.vel.BAK.md5 | 2021-12-01 19:19 | 32 | ||
prod1.vel.md5 | 2021-12-01 19:19 | 32 | ||
prod1.vel.old | 2014-05-25 11:18 | 757K | ||
prod1.vel.old.md5 | 2021-12-01 19:19 | 32 | ||
prod1.xsc | 2014-05-25 11:18 | 248 | ||
prod1.xsc.BAK | 2014-05-25 11:18 | 249 | ||
prod1.xsc.BAK.md5 | 2021-12-01 19:19 | 32 | ||
prod1.xsc.md5 | 2021-12-01 19:19 | 32 | ||
prod1.xsc.old | 2014-05-25 11:18 | 248 | ||
prod1.xsc.old.md5 | 2021-12-01 19:19 | 32 | ||
prod1.xst | 2014-05-25 11:18 | 1.1M | ||
prod1.xst.md5 | 2021-12-01 19:19 | 32 | ||
prod_stride10_fit.dcd | 2014-05-26 11:23 | 370M | ||
prod_stride10_fit.dcd.md5 | 2021-12-01 19:19 | 32 | ||
prod_time.xtc | 2016-04-04 11:33 | 114M | ||
prod_time.xtc.md5 | 2021-12-01 19:19 | 32 | ||
submit.sh | 2014-05-20 13:50 | 1.3K | ||
submit.sh.md5 | 2021-12-01 19:19 | 32 | ||
submit_namd_128.pbs | 2014-03-10 17:13 | 254 | ||
submit_namd_128.pbs.md5 | 2021-12-01 19:19 | 32 | ||
system.pdb | 2014-05-19 18:09 | 2.4M | ||
system.pdb.md5 | 2021-12-01 19:19 | 32 | ||
system.psf | 2014-05-19 18:09 | 5.2M | ||
system.psf.md5 | 2021-12-01 19:19 | 32 | ||
system.tpr | 2016-04-04 11:32 | 814K | ||
system.tpr.md5 | 2021-12-01 19:19 | 32 | ||
systemsetup_caps/ | 2021-12-01 19:19 | - | ||
wrapfit.tcl | 2014-05-26 11:22 | 597 | ||
wrapfit.tcl.md5 | 2021-12-01 19:19 | 32 | ||