[gmx-users] Re: Parallel run on Gromacs ...
TandiaA at Corning.com
Mon Jul 19 19:19:03 CEST 2004
Thank you all for the answers...
None of the answers I got so far is working. I want to run a parallel simulation
With one single output file on each type (.trr, .xtc, .edr).
I want to be able to generate a .tpr from grompp, run (d)mpirun -np x mdrun ...
May be Gromacs cannot do it?
Thanks in advance.
Modeling & Simulation
Corning, NY 14831 USA
Tel: 607 248 1036
Fax: 607 974 3405
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