RE: [gmx-users] Nose-Hoover does not couple

Hi, This is the same issue as in your other mail: ref_t should be 0. Cheers, Berk Date: Tue, 3 Jul 2012 17:38:37 +0300 From: inons...@tau.ac.il To: gmx-users@gromacs.org Subject: [gmx-users] Nose-Hoover does not couple I'm performing

[gmx-users] Nose-Hoover does not couple

I'm performing a verification of the energy dissipation of a single atom, thermally coupled to a heat drain (or sink). In other words, the Langevin equation of motion is d/dt v(t) = - gamma * v(t). If using the Stochastic Dynamics integrator I do indeed get dissipation, however if