On 5/8/15 10:43 AM, Albert Solernou wrote:
Thanks Justin, by removing all the bonded terms from the topology you mean edit "topol_Protein_chain_A.itp" and remove the sections "bonds", "pairs", "angles", and "dihedrals"?
Yes, but of course this renders the topology nonfunctional, so make sure you keep a backup. This applies to any and all topologies that have any bonded terms in them.
-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 ================================================== -- 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.
