[gmx-users] large scale simulation?
mailmd2011 at gmail.com
Fri Mar 30 19:02:51 CEST 2012
I am wondering does anybody have experience with GROMACS for large
scale simulation? I've heard lot of people said that it would be
difficult for Gromacs to do so. eg: I've got a 60,000 atoms system, is
it possible for GROMACS to produce 100 ns/days or even more? suppose I
can use as much CPU as possible.... My recent experience for such
system, Gromacs can only produce up to 20ns/day.... If I would like to
produce 1000 ns, I have to wait for 50 days......
thank you very much
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