On 11/5/13 3:45 AM, kiana moghaddam wrote:
Dear GMX Users
I am using parmbsc0 force field to study DNA-ligand interaction but my problem
is free energy calculation (MMPBSA) for this interaction. How can I calculate
free energy using MMPBSA approach?
Thank you very much for your time and consideration.
An identical question was asked on the list last week, including responses about
external software that will do these calculations. Gromacs does not do MM/PBSA,
but other programs will.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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