root
|
57ef07370b
|
update
|
2024-10-05 15:26:01 +08:00 |
|
root
|
e33f462d15
|
add test script
|
2024-10-05 15:10:17 +08:00 |
|
root
|
3847ccb2ff
|
change md run time
|
2024-10-05 14:48:49 +08:00 |
|
root
|
b166b2bf6a
|
remove
|
2024-10-05 14:42:29 +08:00 |
|
root
|
06e5a0f94b
|
big update
|
2024-10-05 14:41:52 +08:00 |
|
root
|
dbd3e452be
|
add plot script
|
2024-10-05 14:41:34 +08:00 |
|
root
|
4913d6fc8d
|
add mole
|
2024-09-26 19:11:16 +08:00 |
|
root
|
0d64401916
|
add gaussian
|
2024-09-26 18:57:39 +08:00 |
|
root
|
b00b76f9f8
|
add mole sobtop
|
2024-09-26 18:04:18 +08:00 |
|
root
|
507b843060
|
add RESP script with nogui version
|
2024-09-26 18:03:40 +08:00 |
|
root
|
b6d1adb3f3
|
change
|
2024-09-26 18:02:56 +08:00 |
|
root
|
f9c9f82961
|
add prepare gro top itp file in gromacs
|
2024-09-26 18:02:31 +08:00 |
|
root
|
bf2b289c67
|
add all
|
2024-09-26 16:39:11 +08:00 |
|
root
|
111de00dd5
|
Merge branch 'main' of ssh://home.jmsu.top:2224/lingyuzeng/gromacs_docker
|
2024-09-26 16:36:49 +08:00 |
|
root
|
c7c02e9a7f
|
remove
|
2024-09-26 16:36:29 +08:00 |
|
root
|
31b940a85f
|
remove
|
2024-09-26 16:36:12 +08:00 |
|
root
|
fd4db7f8a7
|
add resp compute
|
2024-09-26 16:35:38 +08:00 |
|
lingyu zeng
|
2b654ce581
|
update
|
2024-09-25 18:29:48 +08:00 |
|
|
|
09fea665fc
|
update
|
2024-09-19 21:15:11 +08:00 |
|
|
|
212dcb88ec
|
update
|
2024-09-19 21:13:26 +08:00 |
|
|
|
8591efd393
|
add
|
2024-09-19 21:13:12 +08:00 |
|
|
|
308333d97e
|
add protein and ligand
|
2024-09-19 21:12:59 +08:00 |
|
lingyu zeng
|
363d9b2fe1
|
add screen
|
2024-09-18 19:32:25 +08:00 |
|
lingyu zeng
|
f67fb6c270
|
add gpu_id
|
2024-09-18 19:31:58 +08:00 |
|
lingyu zeng
|
82d60391bf
|
update
|
2024-09-18 15:11:00 +08:00 |
|
lingyu zeng
|
ded062a855
|
update
|
2024-09-18 14:46:44 +08:00 |
|
|
|
fbc70f84de
|
update
|
2024-09-12 18:24:11 +08:00 |
|
|
|
c52df66d52
|
add lower update
|
2024-09-12 16:13:37 +08:00 |
|
|
|
ac4a2cb009
|
lo
|
2024-09-12 14:32:57 +08:00 |
|
|
|
dddbc32879
|
add Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz support
|
2024-09-12 14:30:46 +08:00 |
|
|
|
a2fc510d2b
|
add Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz support
|
2024-09-12 14:29:25 +08:00 |
|
|
|
4c602c7bbf
|
add ports
|
2024-09-12 13:40:58 +08:00 |
|
|
|
d8ea901573
|
change
|
2024-09-12 13:28:55 +08:00 |
|
|
|
247fc2baf0
|
add
|
2024-09-09 20:36:26 +08:00 |
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