On 3/16/15 6:35 AM, Antara mazumdar wrote:
Hi,
I am trying to minimise a coarse grained system having DOPC lipid bilayer,
a dimeric protein and water. The mdp file has DOPC, Protein and W as
coupling groups and my topology file also mentions the number of each
correctly. However while running grompp i am getting No such molecule type
Protein error.
Either the [moleculetype] name is not Protein or you've broken the topology
format somehow such that it cannot be correctly parsed.
-Justin
--
==
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
==
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