[gmx-users] how to check total charge by command?
jalemkul at vt.edu
Fri Aug 17 12:20:34 CEST 2012
On 8/17/12 5:25 AM, Albert wrote:
> I am going to check the total charge of my system from a gro file. I am
> wondering which command should I use? I check the manual and found nothing for it.
Charge information is stored in the topology, not the coordinate file.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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