答复: [gmx-users] topology file of ligand
jalemkul at vt.edu
Tue Oct 15 18:27:49 CEST 2013
On 10/15/13 12:25 PM, sunyeping wrote:
> Thank you Dr. Lemkul,
> Could you recommand some primary literatures which are most usefule for me to understand the force field?
The ones cited in the Gromacs manual are a good start. One should never attempt
to use a force field without scrutinizing its history, assumptions, and
Justin A. Lemkul, Ph.D.
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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