[gmx-users] offline version of CgenFF tool?

Justin Lemkul jalemkul at vt.edu
Thu Feb 16 15:36:21 CET 2017

On 2/16/17 9:34 AM, Albert wrote:
> Hello,
> does anybody have any idea is there any offline tool for generating CgenFF
> parameters for a ligand? Currently I have to go to cgenff website to generate.
> It is very inconvenient if we have a vast number of ligand.

Contact Prof. Alex MacKerell to discuss licensing options.



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


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