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

[vedat durmaz]

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

vedat