[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
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>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.
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