On 10/6/16 3:20 PM, Devon Dillon wrote:
this is my error message ------------------------------------------------------ Program gmx, VERSION 5.0.2 Source code file: /home/abuild/rpmbuild/BUILD/gromacs-5.0.2/src/gromacs/gmxpreprocess/topdirs.c, line: 166 Fatal error: Invalid pairs type 5 For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- help please and thank you : )
If this file came directly from ATB and you didn't touch it, contact the ATB developers, because they need to know that they're producing nonfunctional files. The only acceptable pair function types are 1 and 2. If you modified the file in any way, throw out what you did, familiarize yourself with Chapter 5 and what's acceptable in a topology, and start again.
-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.
