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

Mark Abraham Mark.Abraham at anu.edu.au
Thu Mar 25 21:35:33 CET 2010

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

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