[gmx-users] grompp in GROMACS 4
Mark.Abraham at anu.edu.au
Thu Feb 4 04:55:57 CET 2010
On 04/02/10 14:42, edmund lee wrote:
> 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?
Did you search the GROMACS webpage? There's a FAQ for this...
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