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

Lovuit CHEN lovuitchen at outlook.com
Wed Nov 29 17:20:29 CET 2017

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!


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