[gmx-users] Parameter to for randomizing simulation

Jack Shultz js at drugdiscoveryathome.com
Tue Sep 29 19:31:27 CEST 2009


I thought there was a way to introduce the random number generator via
the application
I was trying to use this parameter
Id_seed=-1
but it failed :-(

I suppose I can insert a random number to gen_seed every time I
submit. is there a range of numbers for gen_seed?

On Tue, Sep 29, 2009 at 1:12 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> Jack Shultz wrote:
>>
>> Hello,
>>
>> What parameter do I set in the mdp file to make it random every time it
>> runs?
>>
>
> Random starting velocities?  Use different values of gen_seed.
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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-- 
Jack

http://drugdiscoveryathome.com
http://hydrogenathome.org



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