[gmx-users] Fatal error: Number of atoms in Topology is not the same as in Trajectory

Justin Lemkul jalemkul at vt.edu
Sun Jan 6 12:24:28 CET 2013

On 1/6/13 1:00 AM, Shima Arasteh wrote:
> I ran NPT equilibration for 1ns. Would that be ok if I rerun it for 1 or more ns ?

I have no idea what will be necessary for your system.  That's up to you to 
analyze and determine.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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