[gmx-users] how to checkpoint per steps

Justin Lemkul jalemkul at vt.edu
Fri Nov 24 04:13:48 CET 2017



On 11/23/17 10:02 PM, Du, Yu wrote:
> Dear GMX Users,
>
>
> In GMX, I can't checkpoint per some MD steps but only checkpoint per wall time period, right?

Right.

-Justin

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

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