[gmx-users] fatal error invalid pairs 5

[Justin Lemkul]

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

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================