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标题: 求助:官网教程的伞形采样每个采样窗口要跑很久吗?还是我的参数设置不对? [打印本页]

作者
Author:
18367716590    时间: 2024-7-12 20:23
标题: 求助:官网教程的伞形采样每个采样窗口要跑很久吗?还是我的参数设置不对?
已经跑了四个小时了第一个采样窗口还没有完

作者
Author:
student0618    时间: 2024-7-12 20:31
本帖最后由 student0618 于 2024-7-12 20:37 编辑

If I just make a guess here, using "-pin on" in gmx mdrun as suggested in the figure you provide will help to improve the simulation speed.

Without further informtion it is hard to tell more.

When you ask question, it is better to tell which tutorial you are working on, e.g. put the link here.
If you wonder whether there is a problem in you input, you better provide your input, given that its not confidential.
If you wonder whether the timing is reasonable, better tell the computer config you are using.
Otherwise it is difficult to find out what is the problem you have.




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