[gmx-users] (no subject)

Mark Abraham mark.j.abraham at gmail.com
Wed Jul 12 18:02:25 CEST 2017


You need to have a file that contains the frame you want to start from, and
give that to gmx grompp -t


On Wed, Jul 12, 2017 at 5:54 PM CLARK NICOLAS Joan <J.Clark-Nicolas at ed.ac.uk>

> Dear gmx users,
> I am trying to extend a finished simulation from a frame which is not the
> last one in my trajectory. I have tried convert-tpr but I think it's only
> modifying the number of steps because the resulting tpr file starts the
> simulation from the first or the last frame depending on whether or not I
> supply the cpt file to mdrun.
> Is there any way to do what I am trying or is using grompp every time my
> only choice?
> Thanks,
> Joan
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