[gmx-users] What is the difference of using "system" and separating groups for "tc-grps"?

[Eric Smoll]

Hello,

The following link should help.

http://www.gromacs.org/Documentation/Terminology/Thermostats

Best,
Eric

On Sun, Jan 27, 2019 at 6:46 PM ZHANG Cheng <272699575 at qq.com> wrote:

> In the mdp file, I am using "tcoupl = v-rescale".
>
>
> Is there a difference between using "system" and separating groups for
> "tc-grps"?
>
>
> e.g.
> ; using "system":
> tc-grps                  = system
> tau-t                    = 1.0
> ref-t                    = 335
>
>
>
> ; using separating groups:
> tc-grps                  = Protein W NA CL
> tau-t                    = 1.0 1.0 1.0 1.0
> ref-t                    = 335 335 335 335
>
>
>
> Thank you!
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