[gmx-users] gen_seed

[David]

On Tue, 2004-07-06 at 19:44, prasad wrote:
> Dear gromacs users.
> 
> could some one suggest me How can I calculate the gen_seed value (for
> example for 1000ps at 600k). what is getpid() in the formula for
> calculating gen_seed value..

the process id. If you don't provide a random seed grompp uses the pid
(an integer < 65000, but OS dependent).

> should I use the value -1 or 173529 for the 'gen_seed' in the mdp
Using seed > 0 should give reproducible results on the same OS and CPU. 
>  options
> file.
> 
> Looking forward for any helpful suggestion.
> Thanks in advance
> regards
> 
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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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