[gmx-users] SD random force
gmx3 at hotmail.com
Thu Jan 22 10:42:00 CET 2004
>Does anyone knows whether SD simulations are affected by kT factor in
>the update being computed using the reference temperature? In
>principle, the current temperature should be used for random force to
>satisfy the fluctuation-dissipation theorem. Thanks,
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
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