On 10/17/14 6:36 AM, Yaser Hosseini wrote:
hi gromacs users when i want to run pdb2gmx command i got a fatal error that said : the residue from MN has lost. and i used all of force feild but i got this error how can i fix it and which one of force feild coomand can i use??
Mn is probably not supported by default in most force fields, but I know parameters exist that are compatible with AMBER force fields. You'll have to add a residue in the .rtp file and nonbonded parameters in ffnonbonded.itp.
-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.
