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

vedat durmaz durmaz at zib.de
Thu Mar 25 16:57:09 CET 2010

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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