[gmx-users] grompp problem

[Justin A. Lemkul]

Quoting Jens Pohl <Pohl.Jens at web.de>:

> >> Hello!
> >>
> >> I've tried to prepare a file for the mdrun and when I use grompp I get the
> >> massage that there is a fatal error in grompp.c line 1111 or line 1109,
> >> respectively.
>
> >What command are you issuing?  What's in the .mdp file?  What is the *exact*
> >error message?
> >
> >Without this kind of information, you'll get no useful advice.
> >
> >-Justin
> >
> >>
> >> Thank you very much in advance
> > >Jens
>
> Hello Justin,
>
> My commands for grompp were:
>
> grompp -f ../grompp.mdp -po test -c test -p test -pp test_pp -o test
>
>
> The grompp.mdp file is the one that can be found in the manual (long version
> with coments) and the output of grompp was:
>
> -------------------------------------------------------
> Program grompp, VERSION 3.3.1
> Source code file: grompp.c, line: 1109
>
> Fatal error:
> There were 1 error(s) processing your input
> -------------------------------------------------------

The output from grompp should tell you what that error was (right before the
fatal error).

-Justin

>
> Jens
>
>
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========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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