[gmx-users] Syntax: mdrun -multi option

Nathan Moore nmoore at physics.umn.edu
Wed Jul 20 23:33:32 CEST 2005

I'm interested in the mdrun option "-multi".  I understand from the online
documentation that this performs several simulations in parallel.  I'd
like to know more about the mechanics of what this means.  Specifically,
if I generate a tpr with
   -np 4
can I then run mdrun with the input tpr and options,
   -multi -np 64
thereby simulating 16 copies of the system, each copy split over 4


NT Moore

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