Dear gromacs users I am working with gromacs 4.0 and my system is a protein under tension solvated in water under Lincs constraint .when I run my mdrun over n nodes by mpirun I'll get n-1 trajectory files (also the same happen for all other output files ) which as it appears all are identical. as far as I know each file shall represent a separate part of the box but when I analyze the trrs the results are identical ( e.g for g_gyrate task ) I want to now if they are exactly the same ? if yes , can I prevent the rest of them from being biult up ?
my mdrun command line is : mpirun -n 4 mdrun_mpi -v -s topol.tpr and the grommp command is: grompp_mpi -v -c minimized.gro -p topol.top -f pull.mdp -n index.ndx I also added --enabled-mpi to my mdrun command line but it didn't work . thanks -- Milad Ekramnia Physics Department Isfahan University of Technology -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
