[gmx-users] how to check total charge by command?

Justin Lemkul jalemkul at vt.edu
Fri Aug 17 12:20:34 CEST 2012

On 8/17/12 5:25 AM, Albert wrote:
> Dear:
>    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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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