[gmx-users] Dihedral restraint in explicit water

Justin Lemkul jalemkul at vt.edu
Sat Mar 18 13:04:19 CET 2017

On 3/18/17 6:27 AM, Anurag Kumar wrote:
> Dear all,
> Restraining dihedral for dipeptide in explicit water model, how it can be
> done?

There are lots of threads in the archive about this (Google is your friend) as 
well as relevant topology and .mdp options in the manual.



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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