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

[Justin Lemkul]

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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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