[gmx-users] Re: SD random force

[Maria Nemirovskaya]

Sorry for the confusing question. I meant the folloing: If the system
is not at ref_t (relaxing toward it), does using ref_t during the
relaxation affects the simulation? Thanks,

Maria


> 
> Sorry, but I don't really understand what you mean.
> SD is performed according to the equations on page 32 of the manual.
> The random force uses ref_t from the mdp file, as stated in the
section
> of the manual on mdp options.
> Is this what you mean, or do you mean something else with 'current 
> temperature'?
> 
> Berk.
> 
>

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Maria Nemirovskaya
Postdoctoral Research Associate
Dept. of Chemistry, University of Oregon