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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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发表于 Post on 2024-7-12 20:23:45
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