[gmx-users] query about random velocity generation

Nuno Azoia nazoia at det.uminho.pt
Fri Jan 30 13:07:44 CET 2009

Hi Sangeeta

I don't know if it's the best option, but in a situation like yours I 
just used gen_seed = -1 (minus 1). By this way every time you do a 
simulation the gen_seed number will be different, because the program 
generates a random number.

I hope this will help.

Nuno Azoia

Tsjerk Wassenaar wrote:
> Hi Sangeeta,
> Different temperatures always come with different velocities, as these
> are related to each other. If you want to have different simulations
> for the same temperature then you have to change the number for
> gen_seed. As for the range, you're stuck with that for a signed (?)
> int, but that's quite a range.
> Cheers,
> Tsjerk
> On 1/30/09, sangeeta kundu <sangeeta0983 at yahoo.co.in> wrote:
>> Dear Sir,
>> I want to simulate the same system at different temperatures using different
>> velocities & want to investigate whether the simulations converged or not..
>> For that should we alter the default  gen_seed value, if yes, then can  we
>> choose the gen_seed value arbitrary or  is there any range of that ?? Thanks
>> in advance.
>> regards
>>       Connect with friends all over the world. Get Yahoo! India Messenger at
>> http://in.messenger.yahoo.com/?wm=n/


Nuno Gonçalo Azoia Lopes

Laboratório de Investigação em Acabamento
Departamento de Engenharia Têxtil
Universidade do Minho
Campus de Azurém
4800-058 Guimarães

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E-mail: nazoia at det.uminho.pt

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