9 Commits

Author	SHA1	Message	Date
lingyuzeng	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
hotwa	baaf63f83a	add cores args	2024-01-09 10:10:10 +08:00
hotwa	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
hotwa	687f3f7967	update	2023-12-04 16:15:16 +08:00
hotwa	06f0b88383	remove export	2023-12-04 14:04:07 +08:00
hotwa	c24fdc3283	add gromacs shell script	2023-12-04 09:19:19 +08:00