[gmx-users] Need Help

Ur-Rehman, Saif su7 at hw.ac.uk
Thu Jul 28 17:38:12 CEST 2005

I am trying to run a simulated annaeling simulation on a 6 residue peptide which i chopped out of beta lactoglobulin.
I am using Windows and  grommpp  absolutely refuses to work. I have read a previous posting that this error is down to the path for the cpp not being set right in the mdp file. However no matter how i change the path it results in this error
I think it might have to do with the fact that theres a space in the path. however i cannot reinstall it as i do not have the privileges on the network to do so. Is there a way round this kind of situation
Thanking you in advance
grompp.mdp has this in it at the moment
title = Beta-Lac

cpp = c:\Progra~1\Gromacs\bin\cpp 

include = -I C:\Progra~1\Gromacs\share\top 

and running grompp results in
calling c:\Progra~1\Gromacs\bin\cpp...
\Progra~1\Gromacs\bin\cpp: Files\Gromacs\share\top: No such file or directory
cpp exit code: 33
Tried to execute: 'c:\Progra~1\Gromacs\bin\cpp -I C:\Progra~1\Gromacs\share\top
-I D:\Gromacs\share\top -IC:\Program Files\Gromacs\share\top  topol.top > grompp
The 'c:\Progra~1\Gromacs\bin\cpp' command is defined in the .mdp file
processing topology...
processing coordinates...
Fatal error: number of coordinates in coordinate file (conf.gro, 23727)
             does not match topology (topol.top, 0)
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