[gmx-users] How to run GROMACS in cluster

[Shradheya R.R. Gupta]

Respected Researchers,

I am trying to run GROMACS in parallel. So I have established connection
using ssh, nfs and openmpi.

The connection is working fine as I have run Autodock Vina-MPI and other
test files.

I have installed the GROMACS in the mounted directory which is shared by
all the computers (not in individual computer).

When I run GROMACS in parallel it is showing 10 minutes for 10ps and when
run on single computer it is showing 5 minutes.

How to resolve this issue?

Your response will be a big help for me.

Shradheya Gupta
BIF-DBT Rajasthan University