[gmx-users] .cpt file
jalemkul at vt.edu
Mon Nov 27 00:21:39 CET 2017
On 11/26/17 6:20 PM, rose rahmani wrote:
> 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 A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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