[gmx-users] gmx distance,umbrella sampling

Justin Lemkul jalemkul at vt.edu
Thu Nov 30 00:12:34 CET 2017

On 11/29/17 11:02 AM, rose rahmani wrote:
> Hello;
> would you please tell me how gmx distance calculate and write COM distance
> from .gro and .tpr files excactly?

No one can give you an "exact" command because selections will depend on 
what you want to do, but in general, the syntax is here:




Justin A. Lemkul, Ph.D.
Assistant Professor
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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