9 Commits

Author SHA1 Message Date
fb32029a61 use GPU mdrun 2024-02-22 11:02:40 +08:00
root
7113cef7da add gpu use 2024-01-15 11:12:56 +08:00
root
e23905ce84 加强 log 2024-01-11 11:04:38 +08:00
baaf63f83a add cores args 2024-01-09 10:10:10 +08:00
11a97fb80c update to env path 2024-01-03 11:17:37 +08:00
root
08db29c224 update gromacs script 2023-12-19 12:50:13 +08:00
687f3f7967 update 2023-12-04 16:15:16 +08:00
06f0b88383 remove export 2023-12-04 14:04:07 +08:00
c24fdc3283 add gromacs shell script 2023-12-04 09:19:19 +08:00