[gmx-users] [gmx-developers] difference between Protein and protein-H
jalemkul at vt.edu
Fri Nov 13 00:30:08 CET 2015
This is a user question that belongs on gmx-users, not gmx-developers. I am
CCing this message to gmx-users; please continue any discussion there.
On 11/12/15 4:55 PM, Ming Tang wrote:
> Dear list,
> I want to calculate the number of intra-protein and protein-solvent H-bonds.
> Could anybody tell me the difference between “protein-H” and “protein” options ?
"Protein" is all protein atoms.
"Protein-H" is all protein non-hydrogen atoms (this isn't what you want to use).
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