On Wed, Nov 20, 2013 at 3:30 PM, Ehsan Sadeghi <es...@sfu.ca> wrote: > Hi gmx uses, > > I need the n-propanol topolgy file including coordinates,g_b, g_a, g_i and > g_d required in aminoacid.rtp file. I am using gromos force field. Does any > body have this file? > > In the GROMOS force fields, molecules are constructed from building block moieties. Alkanes and alcohols are trivial to put together using all existing parameters, because all you are dealing with are uncharged CH3 and CH2 UA types and a CH2-O-H at the end.
-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.
