Name | Last modified | Size | Description | |
---|---|---|---|---|
Parent Directory | - | |||
inputs/ | 2007-10-05 15:26 | - | ||
runit.equil | 2007-10-05 15:29 | 2.0K | ||
randomize_ions.in | 2007-10-05 15:30 | 284 | ||
1SUO_apo.coords | 2007-10-05 15:39 | 1.9M | ||
1SUO_apo.coords.rand | 2007-10-05 16:06 | 3.8M | ||
SUO_apo.o20099 | 2007-10-08 05:09 | 308 | ||
mini.rst | 2007-10-08 05:11 | 1.9M | ||
mini.out | 2007-10-08 05:11 | 18K | ||
heat.rst | 2007-10-08 06:22 | 3.8M | ||
heat.ene | 2007-10-08 06:22 | 74K | ||
heat.out | 2007-10-08 06:22 | 83K | ||
heat.trj | 2007-10-08 06:22 | 126M | ||
mini5.rst | 2007-10-08 06:24 | 1.9M | ||
mini5.out | 2007-10-08 06:24 | 18K | ||
eq5.ene | 2007-10-08 07:08 | 37K | ||
eq5.out | 2007-10-08 07:08 | 48K | ||
eq5.rst | 2007-10-08 07:08 | 3.8M | ||
eq5.trj | 2007-10-08 07:08 | 63M | ||
mini4.rst | 2007-10-08 07:10 | 1.9M | ||
mini4.out | 2007-10-08 07:10 | 18K | ||
eq4.ene | 2007-10-08 07:53 | 37K | ||
eq4.rst | 2007-10-08 07:53 | 3.8M | ||
eq4.trj | 2007-10-08 07:53 | 63M | ||
eq4.out | 2007-10-08 07:53 | 48K | ||
mini3.out | 2007-10-08 07:55 | 18K | ||
mini3.rst | 2007-10-08 07:55 | 1.9M | ||
eq3.rst | 2007-10-08 08:40 | 3.8M | ||
eq3.ene | 2007-10-08 08:40 | 37K | ||
eq3.out | 2007-10-08 08:40 | 48K | ||
eq3.trj | 2007-10-08 08:40 | 63M | ||
mini2.rst | 2007-10-08 08:41 | 1.9M | ||
mini2.out | 2007-10-08 08:41 | 18K | ||
eq2.ene | 2007-10-08 09:26 | 37K | ||
eq2.rst | 2007-10-08 09:26 | 3.8M | ||
eq2.trj | 2007-10-08 09:26 | 63M | ||
eq2.out | 2007-10-08 09:26 | 48K | ||
mini1.out | 2007-10-08 09:27 | 18K | ||
mini1.rst | 2007-10-08 09:27 | 1.9M | ||
eq1.rst | 2007-10-08 10:13 | 3.8M | ||
eq1.trj | 2007-10-08 10:13 | 63M | ||
eq1.ene | 2007-10-08 10:13 | 37K | ||
eq1.out | 2007-10-08 10:13 | 48K | ||
eq05.rst | 2007-10-08 17:34 | 3.8M | ||
eq05.trj | 2007-10-08 17:34 | 628M | ||
profile_mpi | 2007-10-08 17:34 | 74K | ||
eq05.ene | 2007-10-08 17:34 | 367K | ||
eq05.out | 2007-10-08 17:34 | 366K | ||
SUO_apo.e20099 | 2007-10-08 17:34 | 5.5K | ||
restrt.0 | 2007-10-08 20:19 | 3.8M | ||
ener.1 | 2007-10-13 15:30 | 3.6M | ||
mdout.1 | 2007-10-13 15:30 | 3.4M | ||
restrt.1 | 2007-10-13 15:30 | 3.8M | ||
ener.2 | 2007-10-15 19:01 | 3.6M | ||
mdout.2 | 2007-10-15 19:01 | 4.0M | ||
restrt.2 | 2007-10-15 19:01 | 3.8M | ||
ener.3 | 2007-10-23 15:13 | 11M | ||
mdout.3 | 2007-10-23 15:16 | 13M | ||
restrt.3 | 2007-10-23 15:18 | 3.8M | ||
ener.4 | 2007-10-30 07:38 | 11M | ||
mdout.4 | 2007-10-30 07:38 | 12M | ||
restrt.4 | 2007-10-30 07:41 | 3.8M | ||
sander-da | 2007-11-05 20:11 | 4.7M | ||
ener.5 | 2007-11-06 22:06 | 512K | ||
restrt.5 | 2007-11-06 22:11 | 3.8M | ||
out.5 | 2007-11-06 22:12 | 567K | ||
ener.6 | 2007-11-08 12:46 | 512K | ||
restrt.6 | 2007-11-08 13:00 | 3.8M | ||
out.6 | 2007-11-08 13:00 | 571K | ||
ener.7 | 2007-11-18 17:34 | 960K | ||
out.7 | 2007-11-18 17:41 | 1.0M | ||
restrt.7 | 2007-11-18 17:42 | 3.8M | ||
ener.8 | 2007-11-19 17:02 | 928K | ||
out.8 | 2007-11-19 17:39 | 1.0M | ||
restrt.8 | 2007-11-19 17:43 | 3.8M | ||
ener.9 | 2007-11-21 16:53 | 960K | ||
out.9 | 2007-11-21 17:05 | 1.0M | ||
restrt.9 | 2007-11-21 17:07 | 3.8M | ||
ener.10 | 2007-11-23 21:15 | 960K | ||
out.10 | 2007-11-23 21:37 | 1.0M | ||
restrt.10 | 2007-11-23 21:40 | 3.8M | ||
ener.11 | 2007-11-25 20:53 | 960K | ||
out.11 | 2007-11-25 21:21 | 1.0M | ||
restrt.11 | 2007-11-25 21:24 | 3.8M | ||
n1SUO_apo | 2007-11-25 21:24 | 839 | ||
runit.da | 2007-11-25 21:54 | 468 | ||
cono.148009.0.out | 2007-11-26 09:23 | 1.0K | ||
cono.148009.0.err | 2007-11-26 09:23 | 758 | ||
ener.12 | 2007-11-26 09:23 | 0 | ||
restrt.12 | 2007-11-28 06:21 | 3.8M | ||
mdout.12 | 2007-11-28 06:21 | 1.5M | ||
cono.150893.0.out | 2007-11-28 19:03 | 1.0K | ||
cono.150893.0.err | 2007-11-28 19:03 | 758 | ||
ener.13 | 2007-11-28 19:03 | 0 | ||
restrt.13 | 2007-11-30 16:01 | 3.8M | ||
mdout.13 | 2007-11-30 16:01 | 1.5M | ||
cono.152422.0.err | 2007-11-30 19:07 | 758 | ||
cono.152422.0.out | 2007-11-30 19:07 | 1.0K | ||
ener.14 | 2007-11-30 19:07 | 0 | ||
mdout.14 | 2007-12-02 16:03 | 1.6M | ||
restrt.14 | 2007-12-02 16:03 | 3.8M | ||
cono.152957.0.out | 2007-12-06 09:03 | 1.0K | ||
cono.152957.0.err | 2007-12-06 09:03 | 758 | ||
ener.15 | 2007-12-06 09:03 | 0 | ||
mdout.15 | 2007-12-08 06:02 | 1.6M | ||
restrt.15 | 2007-12-08 06:02 | 3.8M | ||
cono.156490.0.out | 2007-12-09 14:20 | 1.1K | ||
cono.156490.0.err | 2007-12-09 14:20 | 1.5K | ||
ener.16 | 2007-12-17 08:16 | 4.0M | ||
mdout.16 | 2007-12-17 22:17 | 6.6M | ||
restrt.16 | 2007-12-17 22:17 | 3.8M | ||
cono.167606.0.out | 2007-12-23 20:08 | 1.0K | ||
cono.167606.0.err | 2007-12-23 20:08 | 835 | ||
ener.17 | 2007-12-31 06:53 | 4.0M | ||
mdout.17 | 2008-01-01 04:06 | 6.8M | ||
restrt.17 | 2008-01-01 04:06 | 3.8M | ||
runit.br | 2008-01-02 14:33 | 651 | ||
cono.190406.0.err | 2008-01-08 16:29 | 1.0K | ||
cono.190406.0.out | 2008-01-08 16:29 | 1.1K | ||
ener.18 | 2008-01-16 02:32 | 4.0M | ||
mdout.18 | 2008-01-17 00:28 | 6.9M | ||
restrt.18 | 2008-01-17 00:28 | 3.8M | ||
cono.204612.0.out | 2008-01-23 13:50 | 808 | ||
cono.204612.0.err | 2008-01-23 13:50 | 1.3K | ||
cono.207629.0.out | 2008-01-23 14:37 | 808 | ||
cono.207629.0.err | 2008-01-23 14:37 | 664 | ||
cono.207632.0.out | 2008-01-23 14:43 | 808 | ||
cono.207632.0.err | 2008-01-23 14:43 | 598 | ||
cono.218411.0.err | 2008-02-11 21:53 | 758 | ||
cono.218411.0.out | 2008-02-11 21:53 | 1.1K | ||
ener.19 | 2008-02-19 12:15 | 4.0M | ||
restrt.19 | 2008-02-20 05:50 | 3.8M | ||
mdout.19 | 2008-02-20 05:50 | 6.7M | ||
18.pdb | 2008-02-25 14:19 | 2.9M | ||
0.pdb | 2008-02-25 14:19 | 2.9M | ||
cono.234498.0.out | 2008-03-04 18:28 | 1.0K | ||
cono.234498.0.err | 2008-03-04 18:28 | 758 | ||
ener.20 | 2008-03-11 20:33 | 4.0M | ||
mdout.20 | 2008-03-13 03:28 | 7.2M | ||
restrt.20 | 2008-03-13 03:28 | 3.8M | ||
apo-1SUO.e44981 | 2008-04-02 12:28 | 578 | ||
apo-1SUO.o44981 | 2008-04-02 12:28 | 155 | ||
1SUO_apo.topo | 2008-04-02 12:33 | 9.6M | ||
mdin | 2008-04-02 12:33 | 290 | ||
prmtop | 2008-04-02 12:33 | 9.6M | ||
cono.313464.0.out | 2008-04-17 08:07 | 1.0K | ||
cono.313464.0.err | 2008-04-17 08:07 | 758 | ||
ener.21 | 2008-04-25 02:46 | 4.0M | ||
mdout.21 | 2008-04-25 16:04 | 6.5M | ||
restrt.21 | 2008-04-25 16:04 | 3.8M | ||
cono.381731.0.out | 2008-05-06 15:00 | 1.0K | ||
cono.381731.0.err | 2008-05-06 15:00 | 758 | ||
ener.22 | 2008-05-14 02:14 | 4.0M | ||
mdout.22 | 2008-05-14 22:58 | 6.8M | ||
restrt.22 | 2008-05-14 22:58 | 3.8M | ||
restrt.23 | 2008-09-09 15:41 | 3.8M | ||
ener.23 | 2008-09-09 15:41 | 4.9M | ||
mdout.23 | 2008-09-09 15:41 | 5.7M | ||
SUO_apo.o506764 | 2008-09-09 15:41 | 2.9K | ||
restrt.24 | 2008-09-14 00:56 | 3.8M | ||
ener.24 | 2008-09-14 00:56 | 4.9M | ||
mdout.24 | 2008-09-14 00:56 | 5.8M | ||
SUO_apo.o512919 | 2008-09-14 00:56 | 4.2K | ||
restrt.25 | 2008-09-17 18:03 | 3.8M | ||
ener.25 | 2008-09-17 18:03 | 4.9M | ||
mdout.25 | 2008-09-17 18:03 | 5.7M | ||
SUO_apo.o527352 | 2008-09-17 18:04 | 4.3K | ||
restrt.26 | 2008-09-20 21:39 | 3.8M | ||
ener.26 | 2008-09-20 21:39 | 4.9M | ||
mdout.26 | 2008-09-20 21:39 | 5.7M | ||
SUO_apo.o536926 | 2008-09-20 21:40 | 2.8K | ||
SUO_apo.o27089 | 2009-03-13 11:25 | 1.0K | ||
ener.27 | 2009-03-14 11:20 | 3.1M | ||
mdout.27 | 2009-03-14 11:24 | 3.5M | ||
SUO_apo.o27093 | 2009-03-14 11:28 | 924 | ||
restrt.27 | 2009-03-14 11:28 | 3.8M | ||
ener.28 | 2009-03-16 07:40 | 3.1M | ||
mdout.28 | 2009-03-16 07:45 | 3.5M | ||
restrt.28 | 2009-03-16 07:46 | 3.8M | ||
SUO_apo.o28496 | 2009-03-16 07:47 | 618 | ||
SUO_apo.o29395 | 2009-03-17 22:19 | 701 | ||
ener.29 | 2009-03-22 15:40 | 3.1M | ||
mdout.29 | 2009-03-22 15:42 | 3.5M | ||
SUO_apo.o35697 | 2009-03-22 15:44 | 618 | ||
restrt.29 | 2009-03-22 15:44 | 3.8M | ||
mdout.30 | 2009-03-24 10:31 | 3.6M | ||
ener.30 | 2009-03-24 10:32 | 3.2M | ||
restrt.30 | 2009-03-24 10:32 | 3.8M | ||
SUO_apo.o35983 | 2009-03-24 10:33 | 675 | ||
ener.31 | 2009-03-26 10:41 | 1.2M | ||
mdout.31 | 2009-03-26 10:41 | 1.3M | ||
pmemd-a10-updraft.80..> | 2009-03-26 10:41 | 538 | ||
restrt.31 | 2009-03-26 10:41 | 3.8M | ||
SUO_apo.o37165 | 2009-03-26 10:42 | 7.1K | ||
ener.32 | 2009-03-29 17:26 | 3.1M | ||
mdout.32 | 2009-03-29 17:32 | 3.5M | ||
SUO_apo.o42179 | 2009-03-29 17:34 | 675 | ||
restrt.32 | 2009-03-29 17:34 | 3.8M | ||
ener.33 | 2009-03-30 10:59 | 1.8M | ||
mdout.33 | 2009-03-30 11:03 | 1.9M | ||
restrt.33 | 2009-03-30 11:05 | 3.8M | ||
SUO_apo.o43742 | 2009-03-30 11:05 | 618 | ||
SUO_apo.o44545 | 2009-04-01 12:25 | 618 | ||
ener.34 | 2009-04-02 23:09 | 4.8M | ||
mdout.34 | 2009-04-02 23:12 | 5.2M | ||
restrt.34 | 2009-04-02 23:12 | 3.8M | ||
SUO_apo.o44706 | 2009-04-02 23:12 | 706 | ||
ener.35 | 2009-04-04 11:25 | 3.1M | ||
mdout.35 | 2009-04-04 11:28 | 3.4M | ||
SUO_apo.o49959 | 2009-04-04 11:34 | 618 | ||
restrt.35 | 2009-04-04 11:34 | 3.8M | ||
ener.36 | 2009-04-06 11:14 | 2.8M | ||
mdout.36 | 2009-04-06 11:16 | 3.0M | ||
restrt.36 | 2009-04-06 11:17 | 3.8M | ||
ener.37 | 2009-09-13 18:12 | 448K | ||
mdout.37 | 2009-09-13 18:19 | 512K | ||
restrt.37 | 2009-09-13 18:20 | 3.8M | ||
SUO_apo.o199223 | 2009-09-13 18:21 | 620 | ||
runit | 2009-09-13 20:45 | 392 | ||
SUO_apo.o199499 | 2009-09-14 13:06 | 704 | ||
ener.38 | 2009-09-14 17:54 | 544K | ||
mdout.38 | 2009-09-14 17:57 | 608K | ||
restrt.38 | 2009-09-14 18:00 | 3.8M | ||
SUO_apo.o199524 | 2009-09-14 18:00 | 620 | ||
SUO_apo.o200408 | 2009-09-18 11:32 | 620 | ||
ener.39 | 2009-09-19 17:04 | 3.1M | ||
mdout.39 | 2009-09-19 17:15 | 3.4M | ||
restrt.39 | 2009-09-19 17:17 | 3.8M | ||
ener.40 | 2009-09-20 22:29 | 3.1M | ||
mdout.40 | 2009-09-20 22:36 | 3.4M | ||
restrt.40 | 2009-09-20 22:40 | 3.8M | ||
SUO_apo.o200728 | 2009-09-20 22:40 | 620 | ||
runit.tmp | 2009-09-28 00:42 | 473 | ||
mdout.41 | 2009-09-28 11:38 | 1.6M | ||
ener.41 | 2009-09-28 11:41 | 1.4M | ||
restrt.41 | 2009-09-28 11:42 | 3.8M | ||
SUO_apo.o202680 | 2009-09-28 11:42 | 677 | ||
ener.42 | 2009-10-09 18:51 | 288K | ||
mdout.42 | 2009-10-09 19:02 | 348K | ||
restrt.42 | 2009-10-09 19:02 | 3.8M | ||
SUO_apo.o204224 | 2009-10-09 19:03 | 620 | ||
ener.43 | 2009-10-10 13:08 | 160K | ||
mdout.43 | 2009-10-10 13:15 | 200K | ||
restrt.43 | 2009-10-10 13:17 | 3.8M | ||
SUO_apo.o204283 | 2009-10-10 13:18 | 620 | ||
SUO_apo.o204311 | 2009-10-10 16:47 | 620 | ||
ener.44 | 2009-10-11 15:18 | 2.5M | ||
mdout.44 | 2009-10-11 15:29 | 2.8M | ||
restrt.44 | 2009-10-11 15:32 | 3.8M | ||
SUO_apo.o204346 | 2009-10-11 15:32 | 620 | ||
ener.45 | 2009-10-12 14:36 | 2.6M | ||
mdout.45 | 2009-10-12 14:44 | 2.9M | ||
restrt.45 | 2009-10-12 14:44 | 3.8M | ||
SUO_apo.o204429 | 2009-10-12 14:44 | 620 | ||
ener.46 | 2009-10-12 16:21 | 160K | ||
mdout.46 | 2009-10-12 16:23 | 187K | ||
restrt.46 | 2009-10-12 16:25 | 3.8M | ||
SUO_apo.o204807 | 2009-10-12 17:09 | 620 | ||
ener.47 | 2009-10-13 05:35 | 1.6M | ||
mdout.47 | 2009-10-13 05:40 | 1.8M | ||
restrt.47 | 2009-10-13 05:44 | 3.8M | ||
SUO_apo.o204828 | 2009-10-13 05:44 | 620 | ||
ener.48 | 2009-10-14 12:18 | 1.3M | ||
mdout.48 | 2009-10-14 12:24 | 1.4M | ||
restrt.48 | 2009-10-14 12:25 | 3.8M | ||
SUO_apo.o205469 | 2009-10-14 12:25 | 620 | ||
runit.up | 2009-10-17 09:17 | 473 | ||
runit.up.bak | 2009-10-17 09:17 | 473 | ||
SUO_apo.o206284 | 2009-10-17 11:11 | 620 | ||
ener.49 | 2009-10-18 11:10 | 128K | ||
logfile | 2009-10-18 11:21 | 1.7M | ||
mdinfo | 2009-10-18 11:21 | 597 | ||
mdout.49 | 2009-10-18 11:21 | 174K | ||
restrt.49 | 2009-10-18 11:22 | 3.8M | ||
SUO_apo.o206610 | 2009-10-18 11:22 | 620 | ||