[gmx-users] gen_vel

David spoel at xray.bmc.uu.se
Mon Feb 24 18:39:31 CET 2003


On Mon, 2003-02-24 at 19:29, Luciane Vieira de Mello wrote:
> 
> Dear all,
> 
> I am interested in generate velocities according to a Maxwell distribution
> at temperature gen_temp [K], with random seed gen_seed.
> 
> I can see the default random number is: (173529)
> 
> Is it right all I need to change is the gen-seed number at .mdp file?
> ; GENERATE VELOCITIES FOR STARTUP RUN =
> gen-vel                  = yes
> gen-temp                 = 300
> gen-seed                 = 1
With different seed you get a different velocity distribution.

Was that the question?
> 
> Thanks in advance.
> Luciane
> 
> 
> 
> +-------------------------------------------------------------------------+
> |                  Dra. Luciane Vieira de Mello Rigden                    |
> | e-mail: mello at cenargen.embrapa.br                                       |
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> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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