Name | Last modified | Size | Description | |
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Parent Directory | - | |||
test1.in | 2008-04-17 13:31 | 238 | ||
test.in | 2008-04-17 14:01 | 325 | ||
summary.VOLUME | 2008-06-17 15:16 | 758K | ||
summary.TSOLVENT | 2008-06-17 15:16 | 379K | ||
summary.TSOLUTE | 2008-06-17 15:16 | 379K | ||
summary.TEMP | 2008-06-17 15:16 | 606K | ||
summary.REFC | 2008-06-17 15:16 | 379K | ||
summary.REF2 | 2008-06-17 15:16 | 379K | ||
summary.PRES | 2008-06-17 15:16 | 556K | ||
summary.NB14 | 2008-06-17 15:16 | 758K | ||
summary.NB | 2008-06-17 15:16 | 758K | ||
summary.ETOT | 2008-06-17 15:16 | 758K | ||
summary.EPTOT | 2008-06-17 15:16 | 758K | ||
summary.EKTOT | 2008-06-17 15:16 | 758K | ||
summary.EKCMT | 2008-06-17 15:16 | 758K | ||
summary.EEL14 | 2008-06-17 15:16 | 758K | ||
summary.EEL | 2008-06-17 15:16 | 758K | ||
summary.DIHEDRAL | 2008-06-17 15:16 | 758K | ||
summary.DENSITY | 2008-06-17 15:16 | 758K | ||
summary.CONSTRAINT | 2008-06-17 15:16 | 758K | ||
summary.BOND | 2008-06-17 15:16 | 758K | ||
summary.ANGLE | 2008-06-17 15:16 | 758K | ||
sander.BigRed | 2007-10-08 15:39 | 5.3M | ||
runit.up.bak | 2009-10-13 22:23 | 481 | ||
runit.up | 2009-10-13 22:23 | 481 | ||
runit.tmp | 2009-09-28 00:39 | 481 | ||
runit.sa | 2008-05-07 15:24 | 442 | ||
runit.abe | 2009-04-24 16:59 | 344 | ||
runit | 2008-01-21 15:29 | 671 | ||
restrt.30 | 2009-10-14 12:26 | 3.8M | ||
restrt.29 | 2009-10-13 05:31 | 3.8M | ||
restrt.28 | 2009-10-12 16:24 | 3.8M | ||
restrt.27 | 2009-10-12 14:44 | 3.8M | ||
restrt.26 | 2009-10-11 15:32 | 3.8M | ||
restrt.25 | 2009-09-28 11:39 | 3.8M | ||
restrt.24 | 2009-09-20 22:39 | 3.8M | ||
restrt.23 | 2009-09-19 17:16 | 3.8M | ||
restrt.22 | 2009-09-14 18:00 | 3.8M | ||
restrt.21 | 2009-04-29 19:05 | 3.8M | ||
restrt.20 | 2009-04-24 16:53 | 3.8M | ||
restrt.19 | 2009-04-20 10:11 | 3.8M | ||
restrt.18 | 2009-04-14 22:46 | 3.8M | ||
restrt.17 | 2009-04-06 08:33 | 3.8M | ||
restrt.16 | 2009-04-04 11:41 | 3.8M | ||
restrt.15 | 2009-04-03 08:50 | 3.8M | ||
restrt.14 | 2009-04-01 12:25 | 3.8M | ||
restrt.13 | 2009-03-26 10:41 | 3.8M | ||
restrt.12 | 2009-03-24 10:11 | 3.8M | ||
restrt.11 | 2009-03-22 15:44 | 3.8M | ||
restrt.10 | 2009-03-17 22:19 | 3.8M | ||
restrt.9 | 2009-03-16 13:31 | 3.8M | ||
restrt.8 | 2009-03-15 09:38 | 3.8M | ||
restrt.7 | 2007-12-13 11:02 | 3.8M | ||
restrt.6 | 2007-12-03 19:02 | 3.8M | ||
restrt.5 | 2007-11-25 08:09 | 3.8M | ||
restrt.4 | 2007-11-10 08:09 | 3.8M | ||
restrt.3 | 2007-11-04 18:35 | 3.8M | ||
restrt.2 | 2007-10-26 08:40 | 3.8M | ||
restrt.1 | 2007-10-18 13:09 | 3.8M | ||
restrt.0 | 2007-10-08 14:39 | 3.8M | ||
restrain_tmi_angle | 2007-10-08 15:48 | 473 | ||
prmtop | 2007-05-11 00:23 | 9.7M | ||
pmemd-a10-updraft.80..> | 2009-03-26 10:41 | 509 | ||
mdout.30 | 2009-10-14 12:24 | 1.6M | ||
mdout.29 | 2009-10-13 05:31 | 1.8M | ||
mdout.28 | 2009-10-12 16:20 | 203K | ||
mdout.27 | 2009-10-12 14:41 | 3.3M | ||
mdout.26 | 2009-10-11 15:32 | 3.1M | ||
mdout.25 | 2009-09-28 11:38 | 1.8M | ||
mdout.24 | 2009-09-20 22:39 | 3.6M | ||
mdout.23 | 2009-09-19 17:15 | 3.4M | ||
mdout.22 | 2009-09-14 17:57 | 576K | ||
mdout.21 | 2009-04-29 19:05 | 6.0M | ||
mdout.20 | 2009-04-24 16:53 | 5.3M | ||
mdout.19 | 2009-04-20 10:11 | 5.1M | ||
mdout.18 | 2009-04-14 22:45 | 2.9M | ||
mdout.17 | 2009-04-06 08:35 | 4.3M | ||
mdout.16 | 2009-04-04 11:39 | 5.6M | ||
mdout.15 | 2009-04-03 08:48 | 5.5M | ||
mdout.14 | 2009-04-01 12:25 | 2.2M | ||
mdout.13 | 2009-03-26 10:41 | 1.4M | ||
mdout.12 | 2009-03-24 10:08 | 3.9M | ||
mdout.11 | 2009-03-22 15:44 | 3.9M | ||
mdout.10 | 2009-03-17 22:15 | 577K | ||
mdout.9 | 2009-03-16 13:30 | 3.9M | ||
mdout.8 | 2009-03-15 09:35 | 3.9M | ||
mdout.7 | 2007-12-13 11:02 | 3.8M | ||
mdout.6 | 2007-12-03 19:02 | 4.6M | ||
mdout.5 | 2007-11-25 08:09 | 7.7M | ||
mdout.4 | 2007-11-10 08:09 | 1.6M | ||
mdout.3 | 2007-11-04 18:35 | 3.0M | ||
mdout.2 | 2007-10-26 08:40 | 1.9M | ||
mdout.1 | 2007-10-18 13:09 | 1.3M | ||
mdinfo | 2009-10-14 12:25 | 794 | ||
mdin.angle | 2007-10-25 15:51 | 356 | ||
mdin | 2007-10-25 15:51 | 356 | ||
logfile | 2009-10-14 11:38 | 900K | ||
ener.30 | 2009-10-14 12:20 | 1.2M | ||
ener.29 | 2009-10-13 05:23 | 1.4M | ||
ener.28 | 2009-10-12 16:12 | 128K | ||
ener.27 | 2009-10-12 14:39 | 2.4M | ||
ener.26 | 2009-10-11 15:31 | 2.8M | ||
ener.25 | 2009-09-28 11:25 | 1.3M | ||
ener.24 | 2009-09-20 22:26 | 2.8M | ||
ener.23 | 2009-09-19 17:01 | 2.6M | ||
ener.22 | 2009-09-14 17:55 | 480K | ||
ener.21 | 2009-04-29 19:05 | 4.3M | ||
ener.20 | 2009-04-24 16:53 | 4.3M | ||
ener.19 | 2009-04-20 10:11 | 4.3M | ||
ener.18 | 2009-04-14 22:42 | 2.2M | ||
ener.17 | 2009-04-06 08:26 | 3.1M | ||
ener.16 | 2009-04-04 11:34 | 4.0M | ||
ener.15 | 2009-04-03 08:47 | 3.9M | ||
ener.14 | 2009-04-01 12:15 | 1.6M | ||
ener.13 | 2009-03-26 10:41 | 1.0M | ||
ener.12 | 2009-03-24 10:00 | 2.8M | ||
ener.11 | 2009-03-22 15:38 | 2.8M | ||
ener.10 | 2009-03-17 22:17 | 416K | ||
ener.9 | 2009-03-16 13:23 | 2.8M | ||
ener.8 | 2009-03-15 09:30 | 2.8M | ||
ener.7 | 2007-12-09 10:25 | 0 | ||
ener.6 | 2007-11-28 19:03 | 0 | ||
ener.5 | 2007-11-24 20:02 | 4.0M | ||
ener.4 | 2007-11-08 16:10 | 0 | ||
ener.3 | 2007-11-01 16:37 | 0 | ||
ener.2 | 2007-10-24 08:41 | 0 | ||
ener.1 | 2007-10-16 13:13 | 0 | ||
a_1PO5_tmi.o52373 | 2008-05-09 18:57 | 296 | ||
a_1PO5_tmi.o52192 | 2008-05-07 17:36 | 385 | ||
a_1PO5_tmi.e52373 | 2008-05-09 18:57 | 1.0K | ||
a_1PO5_tmi.e52192 | 2008-05-07 17:36 | 1.2K | ||
a1PO5_tmi.218414.0.out | 2008-02-11 21:37 | 1.0K | ||
a1PO5_tmi.218414.0.err | 2008-02-11 21:37 | 4.2K | ||
a1PO5_tmi.207633.0.out | 2008-01-23 14:44 | 814 | ||
a1PO5_tmi.207633.0.err | 2008-01-23 14:44 | 922 | ||
a1PO5_tmi.207628.0.out | 2008-01-23 14:39 | 814 | ||
a1PO5_tmi.207628.0.err | 2008-01-23 14:39 | 1.2K | ||
a1PO5_tmi.204617.0.out | 2008-01-23 13:49 | 814 | ||
a1PO5_tmi.204617.0.err | 2008-01-23 13:49 | 2.3K | ||
a1PO5_tmi.197009.0.out | 2008-01-15 09:55 | 1.1K | ||
a1PO5_tmi.197009.0.err | 2008-01-15 09:55 | 4.8K | ||
a1PO5_tmi.154241.0.out | 2007-12-09 10:25 | 1.1K | ||
a1PO5_tmi.154241.0.err | 2007-12-09 10:25 | 4.8K | ||
a1PO5_tmi.151134.0.out | 2007-11-28 19:03 | 1.1K | ||
a1PO5_tmi.151134.0.err | 2007-11-28 19:03 | 5.4K | ||
a1PO5_tmi.147662.0.out | 2007-11-25 14:03 | 1.0K | ||
a1PO5_tmi.147662.0.err | 2007-11-25 14:04 | 4.2K | ||
a1PO5_tmi.144585.0.out | 2007-11-17 00:11 | 1.0K | ||
a1PO5_tmi.144585.0.err | 2007-11-17 00:11 | 4.2K | ||
PO5_tmi_a.o205465 | 2009-10-14 12:26 | 632 | ||
PO5_tmi_a.o204823 | 2009-10-13 05:32 | 632 | ||
PO5_tmi_a.o204521 | 2009-10-12 16:25 | 632 | ||
PO5_tmi_a.o204427 | 2009-10-12 14:44 | 632 | ||
PO5_tmi_a.o204351 | 2009-10-11 15:32 | 632 | ||
PO5_tmi_a.o204243 | 2009-10-10 17:56 | 632 | ||
PO5_tmi_a.o202675 | 2009-09-28 11:39 | 632 | ||
PO5_tmi_a.o200726 | 2009-09-20 22:39 | 632 | ||
PO5_tmi_a.o200632 | 2009-09-19 17:16 | 632 | ||
PO5_tmi_a.o200472 | 2009-09-18 12:24 | 632 | ||
PO5_tmi_a.o200416 | 2009-09-18 10:59 | 632 | ||
PO5_tmi_a.o199534 | 2009-09-14 18:01 | 632 | ||
PO5_tmi_a.o199502 | 2009-09-14 13:06 | 632 | ||
PO5_tmi_a.o62874 | 2009-04-14 22:46 | 718 | ||
PO5_tmi_a.o57125 | 2009-04-06 08:35 | 1.6K | ||
PO5_tmi_a.o50095 | 2009-04-04 11:41 | 718 | ||
PO5_tmi_a.o44856 | 2009-04-03 08:50 | 718 | ||
PO5_tmi_a.o37164 | 2009-03-26 10:41 | 6.8K | ||
PO5_tmi_a.o35973 | 2009-03-24 10:11 | 687 | ||
PO5_tmi_a.o35694 | 2009-03-22 15:44 | 630 | ||
PO5_tmi_a.o29782 | 2009-03-17 22:19 | 628 | ||
PO5_tmi_a.o29185 | 2009-03-16 13:31 | 623 | ||
PO5_tmi_a.o28432 | 2009-03-15 09:38 | 623 | ||
PO5_ta.o928209 | 2009-04-29 19:06 | 1.7K | ||
PO5_ta.o909665 | 2009-04-24 16:54 | 1.7K | ||
PO5_ta.o903392 | 2009-04-20 10:12 | 1.2K | ||
PO5_ta.o899952 | 2009-04-16 23:33 | 1.5K | ||
1PO5_tmi.angle.strip..> | 2008-04-17 14:12 | 6.5M | ||
1PO5_tmi.angle.rms | 2008-04-17 14:12 | 1.5K | ||
1PO5_tmi.angle.2d.raw | 2008-04-17 14:12 | 81K | ||