[gmx-users] Can I attach two (or more) (Langevin) thermostats to one atom (or tc-group)?

[Mark Abraham]

Hi,

No there's no support for this. I would strongly suggest using a more
recent version of GROMACS, so that you get to benefit from the 6+ years of
fixed bugs also ;-)

Mark

On Wed, Nov 29, 2017 at 5:20 PM Lovuit CHEN <lovuitchen at outlook.com> wrote:

> Dear all,
>
> I am doing MD simulation for comparatively smaller systems with Gromacs
> (older version of 4.5.5). I know you are allowed to attach one thermostat
> to each temperature coupling group you've assigned, with a particular
> "ref-t" and "tau-t" valuable. But I am testing the bath models, so my
> question is can I attach two or more Langevin-type stochastic thermostats
> to only one group (or one atom) at the same time. Theoretically, it would
> be just a change to the equation of motion, but I don't know if it can be
> achieved by only changing the topology inputs. Or maybe one has to change
> the source code a bit?
>
> Any suggestions will be helpful.
>
> Thank you very much in advance!
>
>
> Lovuit
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>