On 11/26/17 6:20 PM, rose rahmani wrote:
Hi;

Why .cpt files are not as much important as other files (since grompp works
without it)?

Can you please provide some context for this question?

I'd call a checkpoint file essential, as it is the only true way to get an exact continuation of a stopped run, and also eliminates the need to invoke grompp at all in the vast majority of all continuations.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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