[gmx-users] grompp in GROMACS 4
eyemnoob2008 at hotmail.com
Thu Feb 4 21:45:15 CET 2010
I am new in Gromacs 4.0.7 before this I was using the GROMACS 3.3.3.....
I have some doubt in the grompp commands when i want to run in parallel
In Gromacs 3, I just use:
grompp_mpi -v -f _ _ _ -np 4
mdrun_mpi -v -f -deffnm -np 4
but in Gromacs 4, I cant use 4 nodes in grompp in order to prepare tpr file for 4 nodes to be used in mdrun_mpi....
there is no option -np in grompp and grompp_mpi
Is it there is change in the command?
or is due to other problems?
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