[gmx-users] Is there any problem of pme in GROMACS3.3?
shensui830720 at aim.com
Mon Mar 6 19:20:36 CET 2006
Dear All! I have 2 questions:
I tried to use PME (order: 6) for my simulation, but it always exploded. When I changed PME to Cut-off, it was OK. Is there any problem about PME in GROMACS3.3?
In addition, is there any differences between GROMACS-parallel (many processors) and GROMACS-local? I tried a 1ps simulation by using my local machine, and that was fine. However, The system exploded when I used parallel GROMACS as totally the same environment and parameters.
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