[gmx-users] NMR restrained MD

Justin Lemkul jalemkul at vt.edu
Sun Sep 8 01:03:54 CEST 2013

On 9/7/13 6:55 PM, Rama Krishna Koppisetti wrote:
> Hi Justin,
> If you are willing to see my complex pdb file or complex .gro file  and
> topology files, I'll send you for the reference.

At present, I do not have the time to spare trying to work this out myself.  The 
manual has all the detail you need, and the format of .rtp entries is very 



Justin A. Lemkul, Ph.D.
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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