[gmx-users] grompp in GROMACS 4

edmund lee eyemnoob2008 at hotmail.com
Thu Feb 4 04:42:19 CET 2010

Dear all,

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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