From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Wed Aug 05 2009 - 13:19:25 CDT
I guess my question has already been discussed earlier in the mailing
list:
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/0617.html
Just a curiosity: Are there any plans to introduce the Nose Hoover
thermostat into NAMD? I'm just curious whether NAMD 2.7 might have the
Nose Hoover thermostat.
Thanks,
Gianluca
On Mon, 3 Aug 2009, Gianluca Interlandi wrote:
> Does the Berendsen thermostat also increase the viscosity of water in an
> explict water simulation similarly to the Langevin thermostat?
>
> I came recently across the following report where they compared NAMD versus
> Gromacs and Berendsen versus Langevin:
>
> http://web.mse.uiuc.edu/courses/mse485/projects/2007/team_h2o/report/index.html
>
> In Table 5 they show that Berendsen causes a similar viscosity of water as
> Langevin with a damping coefficient of 5 ps^-1.
>
> Thanks,
>
> Gianluca
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca_at_u.washington.edu
> +1 (206) 685 4435
> +1 (206) 714 4303
> http://artemide.bioeng.washington.edu/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------
>
>
-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
+1 (206) 685 4435
+1 (206) 714 4303
http://artemide.bioeng.washington.edu/
Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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