[gmx-users] can we use large timestep for membrane GPU simulation?

Albert mailmd2011 at gmail.com
Sun Apr 28 12:15:36 CEST 2013


  I am watching Eric online Gromacs GPU webminar these days. I notice 
that he talked about introduce large timestep (5fs) for GPU simulations 
on a water system. I am just wondering, can  we also introduce such big 
time step for membrane system if we are going to run the job in Gromacs?

What's more, Eric also shown the GLIC ion channel simulation with 
150,000 atoms. E5-2690+GTX Titan can get up to 38ns/day. But he didn't 
talked about what's the timestep and cutoff.

could anybody comment on this?

thank you very much

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