[gmx-users] reduced units

Omer Markovitch omermar at gmail.com
Sat Oct 17 18:05:09 CEST 2009

On Sat, Oct 17, 2009 at 06:10, lammps lammps <lammp2forum at gmail.com> wrote:

> Dear,
> I want to do stochastic simulations in the framework of Langevin dynamics
> using Gromacs with the reduced units.  The questions are:
> 1. How to turn on the reduced units? Is there any parameters for setting?
> I am not sure I understand. For Langevin dynamcis/thermostat use:
"integrator = SD" & "bd-fric=0"; Read the manual about the relations between
dt & tau-t, I use 5e-4 & 2, respectively.

Hope I helped. Omer.
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