[gmx-users] What are the random factors in mdrun?

[Justin A. Lemkul]

Lee Soin wrote:
> Hello!
>  
> I am confused about random factors in GROMACS, because I find 
> that different runs of the same .tpr file do not generate identical 
> results. I know that Langevin dynamics introduces random forces, 
> but what are the other random factors in GROMACS? Many thanks in advance.
> 

There is some useful information here:

http://oldwiki.gromacs.org/index.php/Extending_Simulations

Check the "Exact versus binary identical continuation" section.

-Justin

> -- 
> SUN Li
> Department of Physics
> Nanjing University, China
> 
> 
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-- 
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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

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