On 11/6/13 1:52 PM, Steve Seibold wrote:
Hello
I am having trouble running a dimmer invacuo simulation. I can do energy
minimization on it, but when I attempt to generate md.tpr file I get this
weird message about “Group Protein not found in index”. I don’t see why I
would need an index file. I have no trouble generating a md.tpr file for md
(afer energy minimization) IF I solvate the system. It is only in a vacuum
that I cannot generate a .tpr file using grompp. Has anyone else had this
symptom with Gromacs?
I was trying to help you before:
http://lists.gromacs.org/pipermail/gmx-users/2013-November/085179.html
but the thread went cold, so I assumed you had fixed it. If you're still having
problems, we still need to see the information I asked for before.
-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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