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• 08167bdd34 unfinish main mm644706215 2025-01-18 22:42:19 +08:00
• f66132fcd0 fist add mm644706215 2025-01-18 22:42:10 +08:00
• 76f42c119f fix mm644706215 2025-01-18 22:34:03 +08:00
• e86a858ede openssh-client openssh-server add mm644706215 2025-01-18 22:33:58 +08:00
• 085ebcb84f temp save mm644706215 2025-01-18 21:42:09 +08:00
• 8d7d1e766d unfinish mm644706215 2025-01-18 21:41:53 +08:00
• 77e15d17e5 add step build file mm644706215 2025-01-18 21:39:38 +08:00
• 4766780404 update add test dockerfile mm644706215 2025-01-18 17:49:21 +08:00
• 582a5043e2 update build mm644706215 2025-01-18 17:30:42 +08:00
• 6807368bf6 update Your Name 2024-11-06 10:15:05 +08:00
• cc9d96a36c update root 2024-10-27 15:29:31 +08:00
• a977029c82 add amber root 2024-10-23 21:06:48 +08:00
• 77bf980868 add openucx and openmpi root 2024-10-17 13:30:07 +08:00
• 9e0469c9d3 add openucx and openmpi root 2024-10-17 13:27:37 +08:00
• 68f7ecbf2d update root 2024-10-17 09:45:10 +08:00
• 1e9055ebc8 update root 2024-10-16 23:17:04 +08:00
• a331f22baa update root 2024-10-16 23:16:49 +08:00
• 777d8a0067 add cuda_arch root 2024-10-11 12:31:41 +08:00
• a10624305d update root 2024-10-11 10:23:09 +08:00
• 174b38372b update add PyAutoFEP root 2024-10-10 23:07:53 +08:00
• cd6079d679 add PyAutoFEP root 2024-10-10 23:07:31 +08:00
• f5babc522c analyse root 2024-10-05 19:28:24 +08:00
• c921cffb25 add .xvg 文件可视化 root 2024-10-05 19:28:06 +08:00
• 023d72a3f0 plot svg root 2024-10-05 19:27:47 +08:00
• 642f35760c add plot_rmsd.sh root 2024-10-05 19:08:54 +08:00
• 465d8a8edf add RNA 小分子模拟 root 2024-10-05 15:48:18 +08:00
• a87531b5b2 add docker use root 2024-10-05 15:44:23 +08:00
• 6cfd7db5dc update root 2024-10-05 15:36:49 +08:00
• 57ef07370b update root 2024-10-05 15:26:01 +08:00
• e33f462d15 add test script root 2024-10-05 15:10:17 +08:00
• 3847ccb2ff change md run time root 2024-10-05 14:48:49 +08:00
• b166b2bf6a remove root 2024-10-05 14:42:29 +08:00
• 06e5a0f94b big update root 2024-10-05 14:41:52 +08:00
• dbd3e452be add plot script root 2024-10-05 14:41:34 +08:00
• 4913d6fc8d add mole root 2024-09-26 19:11:16 +08:00
• 0d64401916 add gaussian root 2024-09-26 18:57:39 +08:00
• b00b76f9f8 add mole sobtop root 2024-09-26 18:04:18 +08:00
• 507b843060 add RESP script with nogui version root 2024-09-26 18:03:40 +08:00
• b6d1adb3f3 change root 2024-09-26 18:02:56 +08:00
• f9c9f82961 add prepare gro top itp file in gromacs root 2024-09-26 18:02:31 +08:00
• bf2b289c67 add all root 2024-09-26 16:39:11 +08:00
• 111de00dd5 Merge branch 'main' of ssh://home.jmsu.top:2224/lingyuzeng/gromacs_docker root 2024-09-26 16:36:49 +08:00
• c7c02e9a7f remove root 2024-09-26 16:36:29 +08:00
• 31b940a85f remove root 2024-09-26 16:36:12 +08:00
• fd4db7f8a7 add resp compute root 2024-09-26 16:35:38 +08:00
• 2b654ce581 update lingyu zeng 2024-09-25 18:29:48 +08:00
• 09fea665fc update lingyuzeng 2024-09-19 21:15:11 +08:00
• 212dcb88ec update lingyuzeng 2024-09-19 21:13:26 +08:00
• 8591efd393 add lingyuzeng 2024-09-19 21:13:12 +08:00
• 308333d97e add protein and ligand lingyuzeng 2024-09-19 21:12:59 +08:00
• 363d9b2fe1 add screen lingyu zeng 2024-09-18 19:32:25 +08:00
• f67fb6c270 add gpu_id lingyu zeng 2024-09-18 19:31:58 +08:00
• 82d60391bf update lingyu zeng 2024-09-18 15:11:00 +08:00
• ded062a855 update lingyu zeng 2024-09-18 14:46:44 +08:00
• fbc70f84de update lingyuzeng 2024-09-12 18:24:11 +08:00
• c52df66d52 add lower update lingyuzeng 2024-09-12 16:13:37 +08:00
• ac4a2cb009 lo lingyuzeng 2024-09-12 14:32:57 +08:00
• dddbc32879 add Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz support lingyuzeng 2024-09-12 14:30:46 +08:00
• a2fc510d2b add Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz support lingyuzeng 2024-09-12 14:29:25 +08:00
• 4c602c7bbf add ports lingyuzeng 2024-09-12 13:40:58 +08:00
• d8ea901573 change lingyuzeng 2024-09-12 13:28:55 +08:00
• 247fc2baf0 add lingyuzeng 2024-09-09 20:36:26 +08:00