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注册日期: Jun 2003
来自: 北京
发帖数: 2501 |
Re: 计算速度是快还是慢呢?
引用: 最初由 水鬼 发布
计算速度是快还是慢呢?
------------------------------------------------
[02:27:21] Protein: p685_L939_K12M_ext_355K
[02:27:21] - Run: 63 (Clone 85, Gen 2)
[02:27:21] - Frames Completed: 4, Remaining: 396
[02:27:21] - Dynamic steps required: 4950000
[02:27:21]
[02:27:21] Writing local files:
[02:27:21]
[02:27:21] parameters work/wudata_01.prm
[02:27:21] - Writing "work/wudata_01.key": (overwrite) successful.
[02:27:22] - Writing "work/wudata_01.xyz": (overwrite) successful.
[02:27:22] - Writing "work/wudata_01.prm": (overwrite) successful.
[02:27:24] - Writing "work/wudata_01.key": (append) successful.
[02:27:24]
[02:27:24] PROJECT="work/wudata_01", NSTEPS=4950000, DT=2.0000, DTDUMP=25.000000
, TEMP=355.00
[02:27:24] TINKER: Software Tools for Molecular Design
[02:27:24] Version 3.8 October 2000
[02:27:24] Copyright (c) Jay William Ponder 1990-2000
[02:27:24] portions Copyright (c) Michael Shirts 2001
[02:27:24] portions Copyright (c) Vijay S Pande 2001
[02:38:36] Finished a frame (5)
[02:50:56] Finished a frame (6)
[03:02:44] Finished a frame (7)
比较快
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