IC.
thanks a lot for explanations.
Albert
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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