Re: [gmx-users] fatal error invalid pairs 5
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.
[gmx-users] fatal error invalid pairs 5
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 : ) -- 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.
Re: [gmx-users] Fatal error Invalid pairs 5
On 10/5/16 11:26 PM, Devon wrote: I'm having big problems. I generated a topology using atb. I'm using the external force fields recommended. I'm getting an invalid pairs 5 error. It would be greatly appreciated if someone could help alleviate some stress. Thank you Please provide a full error message, copied and pasted from your terminal, the command(s) used, and any relevant snippets of the files that correspond to offending lines. ATB is a heavily used and well tested server; if it has generated syntactically incorrect files without any further user manipulation, this would be very odd. -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.
[gmx-users] Fatal error Invalid pairs 5
I'm having big problems. I generated a topology using atb. I'm using the external force fields recommended. I'm getting an invalid pairs 5 error. It would be greatly appreciated if someone could help alleviate some stress. Thank you -- 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.
