[gmx-users] Fw: grompp lib/cpp problem

[David van der Spoel]

rodrid3 at rpi.edu wrote:
> ==============Original message text===============
> From: rodrid3 at rpi.edu
> Date: Mon, 24 Jul 2006 20:00:57 EDT
> Subject: Re: [gmx-users] REST variant of REMD
> 
> Hi i'm getting this line from a nohup.out file. I am trying to run grompp
> in a loop for several files and the script is not working. What does this
> mean?
there's an error in the top file. Look for things like quotes (') and 
remove them.
> 
> 
> creating statusfile for 1 node...
> calling /lib/cpp...
> cpp exit code: 256
> Tried to execute: '/lib/cpp -I../top
> -I/home/diana/software/gromacs-3.3/share/gromacs/top 1bq8zn.top >
> gromppgr1Igp'
> The '/lib/cpp' command is defined in the .mdp file
> processing topology...
> turning H bonds into constraints...
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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