[gmx-users] In itp file from prodrg, what is C0 and C1 in bonds, angles and dihedrals section
jalemkul at vt.edu
Sat Oct 25 22:47:41 CEST 2014
On 10/25/14 4:36 PM, fatemeh ramezani wrote:
> Hi Dear gmx-users
> In itp file from prodrg, what is C0 and C1 in bonds, angles and dihedrals section;
"C" is for "constant," i.e. whatever parameters are needed for those bonded
> [ bonds ]
> ; ai aj fu c0, c1, ...
> [ angles ]
> ; ai aj ak fu c0, c1, ...
> [ dihedrals ]
> ; ai aj ak al fu c0, c1, m, ...
> Thank you
> Fatemeh Ramezani
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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