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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
