Chitrita Dutta Roy wrote:
Thanks to all for helping me previously.
Now i am unable to arrange the .tpr file for position restraint mdrun on
a quad core as in version 4.0.2 grompp -np is not a valid comand can
anybody help me in building a tpr file for parallel run on 4 cores of a
quad core machine .I have installed gromacs using Open MPI Library and
my files are suffixed as _mpi.
Please start by searching the mailing list, or consulting the
documentation for grompp, (e.g. grompp -h). This question has come up
about every fortnight since GROMACS 4 was released. -np is no longer a
valid option.
Mark
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