[gmx-users] Re: SD random force

Berk Hess gmx3 at hotmail.com
Fri Jan 23 10:12:01 CET 2004


Maria Nemirovskaya 
Date: Fri, 23 Jan 2004 10:11:15 +0100
Mime-Version: 1.0
Content-Type: text/plain; format=flowed

>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,

Stochastic dynamics generates a canonical ensemble at temperature ref_t.
If the system is not at ref_t, one should still use ref_t for the random 
force,
otherwise the system would never arrive at ref_t.

Berk.

_________________________________________________________________
MSN Search, for accurate results! http://search.msn.nl




More information about the gromacs.org_gmx-users mailing list