On 9/9/13 5:37 PM, Rama Krishna Koppisetti wrote:
Hi Justin,
I merge two molecules as a single molecule type. Now I'm trying to do
energy minimization of the system, getting errors like
Fatal error: [file topol.top, line 55130]:
No default Proper Dih. types
Any idea for this type of errors.
The force field does not have parameters for whatever dihedral is listed on line
55130 in the topology.
-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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