- 积分
- 3590
- UID
- 32
- 在线时间
- 小时
- 最后登录
- 1970-1-1
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好快啊,8 分钟搞掂一个 frame。
其中的一个 FAH 日志:
[15:14:50] Protein: p638_L939_K12M_ext
[15:14:50] - Run: 68 (Clone 54, Gen 29)
[15:14:50] - Frames Completed: 0, Remaining: 400
[15:14:50] - Dynamic steps required: 5000000
[15:14:50]
[15:14:50] Writing local files:
[15:14:50]
[15:14:50] parameters work/wudata_01.prm
[15:14:50] - Writing "work/wudata_01.key": (overwrite) successful.
[15:14:50] - Writing "work/wudata_01.xyz": (overwrite) successful.
[15:14:51] - Writing "work/wudata_01.prm": (overwrite) successful.
[15:14:52] - Writing "work/wudata_01.key": (append) successful.
[15:14:52]
[15:14:52] PROJECT="work/wudata_01", NSTEPS=5000000, DT=2.0000,TDUMP=25.000000, TEMP=298.00
[15:14:52] TINKER: Software Tools for Molecular Design
[15:14:52] Version 3.8 October 2000
[15:14:52] Copyright (c) Jay William Ponder 1990-2000
[15:14:52] portions Copyright (c) Michael Shirts 2001
[15:14:52] portions Copyright (c) Vijay S Pande 2001
[15:26:27] Finished a frame (1)
[15:37:58] Finished a frame (2)
[15:49:27] Finished a frame (3) |
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