[gmx-users] grompp problem

[Jens Pohl]

> -----Ursprüngliche Nachricht-----
> Von: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Gesendet: 25.01.08 15:40:45
> An: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Betreff: Re: [gmx-users] grompp problem


> 
> 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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Yes, there was one Error (ERROR: invalid enum 'yea' for variable gen-vel, using 'no'
Next time use one of: 'no' 'yes'). 

Thank you very much - problem solved (so far)
Jens 
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