[gmx-users] omit solvent's coordinates in output file

[Mark Abraham]

On 26/03/2010 2:57 AM, vedat durmaz wrote:
> dear gromacsters,
>
> does anyone know a way to tell gromacs which molecule's coordinates to
> write to the output file which should be as small as possible? i don't
> need the solvent's coordinates for example.
>
> starting run like:
>
> grompp -f ../../md.mdp -c eq.gro -n index.ndx -p complex.top -o md.tpr
> mpiexec -n 32 mdrun -v -deffnm md 2>&1
>
> thanks a lot and best regards

This question is dealt with in the FAQ list. Check out 
http://www.gromacs.org/Documentation/FAQs

Mark