[gmx-users] Is there any problem of pme in GROMACS3.3?

Sui Shen 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.

Thank you!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060306/88dc52d7/attachment.html>

More information about the gromacs.org_gmx-users mailing list