On Mon, Dec 16, 2013 at 8:09 PM, Sidath Wijesinghe <swij...@g.clemson.edu>wrote:
> Justin, > > Thank you for the reply. so that means i need to place the parameters in > atomname2type.n2t file? > > Yes, per the format shown on that site. I will warn you that it can be difficult to define non-overlapping parameters for large, complex systems. g_x2top was designed to deal with simpler molecules. -Justin -- ========================================== 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 ========================================== -- 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 gmx-users-requ...@gromacs.org.