On 9/28/13 9:41 PM, Abu Naser wrote:
Hi all users,
Is it possible to add hydrogens to some of the selected atoms in the system
using pdb2gmx?
pdb2gmx is a rather complex way to do it. g_protonate is the tool for adding
hydrogens to a configuration, but note it can only handle PDB files at the moment.
-Justin
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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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