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 [email protected] | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
