[gmx-users] Additional repulsive terms for LJ
jalemkul at vt.edu
Tue Aug 26 18:26:21 CEST 2014
On 8/26/14, 9:14 AM, Dr. Timothy Click wrote:
> Again, thank you for the insight. Can Gromacs handle the 1-4 LJ interactions in the nbfix.itp like in CHARMM and NAMD? Or, is it limited to a two-column definition?
Special 1-4 interactions are specified in [pairs], not [nonbond_params].
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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