On 3/16/15 7:12 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 *Something is wrong in
the coordinate formatting of file system.gro* error. No such molecule type
error does not come now.
So now, instead of having a broken topology (or maybe grompp never even gets
that far), you've altered the coordinate file in some way that the format is
broken. Without knowing what you're doing or why you're doing it (usually
there's no reason to play with the contents of a .gro file manually), there's
nothing to say here.
-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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