[gmx-users] nose-hoover vs v-rescale in implicit solvent

Mark Abraham mark.j.abraham at gmail.com
Thu Nov 7 09:55:17 CET 2013


I think either is correct for practical purposes.

Mark


On Thu, Nov 7, 2013 at 8:41 AM, Gianluca Interlandi <
gianluca at u.washington.edu> wrote:

> Does it make more sense to use nose-hoover or v-rescale when running in
> implicit solvent GBSA? I understand that this might be a matter of opinion.
>
> Thanks,
>
>      Gianluca
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca at u.washington.edu
>                     +1 (206) 685 4435
>                     http://artemide.bioeng.washington.edu/
>
> Research Scientist at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
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