[gmx-users] Polymer parameter

Justin Lemkul jalemkul at vt.edu
Fri Oct 3 13:52:57 CEST 2014

On 10/3/14 7:47 AM, Lovika Moudgil wrote:
> Hi everyone ,
> I have a polymer DEAE-Dextran . I want to generate parameters for it that
> can be used in gromacs . Please guide me how can I do ? I have already
> tried generating .itp with ATB and using it ...but it's not  working....


Saying "it's not working" is totally useless to anyone trying to help you.  What 
did you do?  What failed?  What were your exact commands?  What was the exact 
error message?  If you want free help, you have to make it easy for those 
willing to give you that help.



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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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