[gmx-users] fail to pull

Albert mailmd2011 at gmail.com
Sun Apr 7 18:11:42 CEST 2013


thanks a lot for explanations.


On 04/07/2013 06:08 PM, Justin Lemkul wrote:
> I'm assuming you're getting that line from my tutorial. You pass the .cpt
> file to grompp to preserve velocities from the previous equilibration
> phase. If you don't, what was the point of equilibrating? Coordinates,
> topology, and .mdp parameters are all that are strictly required to produce
> a .tpr file, but other files may be necessary to produce a sensible .tpr
> file based on previous steps.
> -Justin

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