[gmx-users] Gromacs 4.0 Benchmarks

Robert Fenwick robert.fenwick at irbbarcelona.org
Tue Feb 10 21:50:10 CET 2009


I wanted to run one of the gromacs 4.0 benchmarks on a new cluster
that we have and also wanted to see the affect of this 4 fs time step.
If it would not be too much trouble would it be possible for the
setups of either the PLINCS paper or the GROMACS 4.0 paper to be
placed somewhere on the website. Specifically I am intersted in the
lysozyme benchmark, however I suspect others might like the membrane
system to as well.

I have tried to set a similar simulation up, but it is not able to run
with 4 fs integration.


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