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

2017-11-29 Thread 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 wrote: > Dear all, > > I am doing MD simulation for

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

2017-11-29 Thread Lovuit CHEN
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