On 12/18/15 8:47 AM, Ganesh Shahane wrote:
Dear Gromacs Users, I need to simulate a specific polymer which consists of carbon, hydrogen and fluorine atoms. Could anyone please suggest some force fields for simulating inorganic polymer molecules that have been ported to gromacs?
Your polymer is organic since it has carbon. Most force fields in GROMACS should, in principle, support such species, but you need to do a literature search on your own to figure out the best available options that other investigators have used for similar systems.
-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.
