[gmx-users] question

[Justin Lemkul]

On 7/11/15 3:43 AM, Atila Petrosian wrote:
> Dear Mark,
>
> Thanks for your attention,
>
> If I want to use PRODRG server and not ATB for my ligand, how to modify
> charge and charge group number?
>
> I am beginner in this  acse, please guide about that.
>

Shameless self-promotion for the millionth time:

http://pubs.acs.org/doi/abs/10.1021/ci100335w

-Justin

-- 
==================================================

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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