[gmx-users] Dihedral parameter

Justin Lemkul jalemkul at vt.edu
Sat Nov 15 23:06:45 CET 2014

On 11/15/14 3:26 AM, Hossein Lanjanian wrote:
> Hi everyone
> We created a new covolant bond to study a modification on a protein.
> Unfortunately, gromacs does not have its dihedral paramete. Is there any
> standard tools to find them, Or we must calculate this parameter as a
> independent study?

Parametrization must be done using whatever methods and target data that the 
force field uses.



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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