[gmx-users] assignment of atomname1 and atomname2 in param_example file in GridMAT-MD
jalemkul at vt.edu
Thu May 11 17:31:06 CEST 2017
On 5/11/17 5:24 AM, manindersingh rajawat wrote:
> Dear GROMACS users,
> I have set up a system for membrane simulation. Membrane contains 103 POPC
> and 25 POPS molecules. I am using GridMAT-MD for calculating area per lipid
> and thickness of the membrane by following GridMAT-MD tutorial. But
> confused how and what to assign in atomname1 and atomname2 in its
> param_example file.
Use something that is representative of the lipid head group. For most
phospholipids, use the P atom. If you have further questions, direct them
off-list to me as this is not a GROMACS problem.
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
More information about the gromacs.org_gmx-users