[gmx-users] Function type Fourier Dih. not implemented in ip_pert

Justin Lemkul jalemkul at vt.edu
Mon Mar 31 17:51:25 CEST 2014

On 3/31/14, 11:35 AM, Dr. Vitaly Chaban wrote:
> Since I do not couple intramolecular interactions, why those dihedrals
> play any role?

The couple-intramol option only applies to intramolecular nonbonded interactions.



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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