[gmx-users] Large protein suggestion

Josh Hursey joshh at cs.earlham.edu
Mon Jul 29 17:35:36 CEST 2002

I am running some performance tests on gromacs with mpi enabled. I am
currently using the villin head-piece to test with. My query is

1) Does anyone have a cannon for villin that I can compare my results with
to ensure that I am producing correct results?

2) Villin is too quick to compute at this stage in testing. It takes
roughly 10 minutes to compute. I was wondering if anyone has a set of
gromacs files for a larger protein or more computationally intensive
protein that would take at least 20-30 minutes to compute. One that is
fairly stable would be nice.

3) With this new protein do you have results that I can compare against as
a cannon of sorts.

Thank you all for your help.

Josh Hursey

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