On Thu, Dec 12, 2013 at 3:43 AM, Felix Weng <100711...@gms.tcu.edu.tw>wrote:
> Dear all, > > I had trouble with the command "g_x2top" while trying to generate the > topology file for the molecule SAM. Error came up as followed. > > Program g_x2top, VERSION 4.5.5 > Source code file: g_x2top.c, line: 505 > > Fatal error: > No or incorrect atomname2type.n2t file found (looking for amber94.ff) > > Does anyone know what could have caused this problem? > > Exactly what the fatal error says - that force field does not have an .n2t file. As I recall, only OPLS and maybe one of the Gromos parameter sets has an .n2t file. You will have to create one yourself, but in this case that probably winds up being more work than deriving the parameters through some other means. -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.
