[gmx-users] large scale simulation?

Albert 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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