Ismael De Andrés Presa wrote:
On Mar, 6 de Junio de 2006, 4:42 pm, David van der Spoel dijo:
Ismael De Andrés Presa wrote:
1º. Run GROMACS for 8 hours and how much simulated time it has
generated.
2º. Generate a little simulation time with GROMACS having GROMACS and see
how much it cost with 1, 2, ...8 nodes.
For me the best option is the first one but I don´t know how I could do
that. Any idea would be appreciated. Thanks In Advance.
10 minutes is enough.
Hi David, thank you for your fast response but I haven´t understand you.
Do you mean that 10 minutes of simulated time is enough (option 2) or
what?
How is the GROMACS parameter for that? Thanks again!
just try out by varying nsteps.
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David.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
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