[gmx-users] force field problem....
jalemkul at vt.edu
Thu Apr 16 22:42:25 CEST 2015
On 4/16/15 3:41 PM, Kamalesh Roy wrote:
> Hi Justin
> Thank you, for the help....I have made topology from PRODRG server and then
> manually edited
> as required...but the column gromos type is unknown unlike other molecule
> in the ff..
> Where do I get this?
You'll have to tell us what the molecule is and provide the text of the
topology, as well as any relevant error message(s). Otherwise, the only answer
anyone can give you is "you messed something up," which is not terribly helpful :)
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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