[gmx-users] Rised temperatures

[Ing. Vojtěch Spiwok]

Dear Gromacs users/developers
I'm running MD of solvated protein in Berendsen temp.
coupling (tau_t = 0.2) and in Parinello-Rahman presure
coupling. Bond lenghts are constrained. The temperature
of the system is rised (approx 20 K) from ref_t for whole
(1 ns) simulation. Is it normal or is it error / incompatibility
in settings ? Is it possible to reduce it by increasing of
tau_t ?
Thanks

Vojtech Spiwok
ICT Prague
Czech Republic