[gmx-users] Parameter to for randomizing simulation

[Justin A. Lemkul]

Jack Shultz wrote:
> 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?
> 

You could do that, and no, I don't think there's any pre-defined range (just 
some integer).  I believe you can just set gen_seed = -1 and grompp will 
generate a random number each time.  Using ld_seed is for sd and bd integrators, 
per the manual.

-Justin

> 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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> 
> 
> 

-- 
========================================

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

========================================