[gmx-users] Point charges?

[Justin Lemkul]

On 10/3/16 1:10 PM, Marko S wrote:
> Hello everyone. Thanks for the software and hopefully for your help on
> advance.
>
> I'm a bit confused, since I can't find the answer in the manual. But where
> are the atom point charges written in which Gromacs output file? I need
> that data for further analysis of my system.
>

The topology.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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