[gmx-users] Reg: Number of nodes in REMD
rohit.bioinfo at gmail.com
Thu Jan 19 19:33:23 CET 2012
I am trying to run REMD using the following command
mdrun_mpi -s run_.tpr -multi 8 -replex 100
and i am getting the following error
The number of nodes (1) is not a multiple of the number of simulations (8)
i tried using -np option to give the number of nodes but it is also not
I installed gromacs_mpich using synaptics in ubuntu.
Any help please.
PhD Biosciences (2011-2014)
Center for Systems Biology
University of Birmingham
Email : rohit.farmer at gmail.com
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