[gmx-users] About the gromacs 4.0 manual and parallel running

Zhang Zhigang zgzhangcn at gmail.com
Thu Nov 6 14:21:26 CET 2008

    I'm using the newly published Gromacs 4.0 package these days. Compared
with the prior versions, this version seems to have been improved a
lot. From the ftp site, I've downloaded a manual for this version. But this
manual seems to be incompleted, which can be revealed in the descriptions of
the instructions for parallel runnings. I wonder:
   1. When will the final official manual be published for 4.0?
   2. How to run a parallel simulation with Gromacs 4.0? Are there any
special tips for a optimized parallel run? I've tried a set of runnings but
found the accelerations are not good enough as I expected.

Thank you for your possible suggestions!

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