[gmx-users] 2x2 or 4

[David]

On Fri, 2005-11-04 at 14:23 -0200, Alberto Malvezzi wrote:
> Dear friends,
> what is best to prove my trajectory is stable:
> make two independent 2ns runs, or make one 4ns run?
> or is it indifferent?
For long simulations it shouldn't matter. But it depends on your system.
For simple liquids 2 ns maybe enough but not for proteins.

> Thanks
> Alberto
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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