[gmx-users] Invalid order for directive atomtypes
jalemkul at vt.edu
Mon Sep 21 14:59:09 CEST 2015
On 9/21/15 8:53 AM, Daniele Veclani wrote:
> Dear Justin.
> Thanks for you quick answer,
> I checked the your suggested link.
> But I have that both molecules (solvent and solute) introduce new atoms
> How can I do??
Group them together and introduce them before any ligand [moleculetype] appears.
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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