[gmx-users] On the choosing of tau_t for SD integrator

Own 12121325 own12121325 at gmail.com
Thu Oct 12 15:41:59 CEST 2017

Dear Gromacs Users,

I have found that 2 ps is a standard value for the tau_t for SD integrator.
Since it is a reverse friction constant, does it means that the values
below 2 ps will provide stronger coupling with thermostat (more virtual
collisions => more viscosity) and the values above 2 ps should reduce

I am interesting how the changing of tau_t will modify the behavior of
solvent in the simulations with Langevin's dynamics e.g in case of the
simulation of the flow?

Thanks so much for help!

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