On Sat, Oct 17, 2009 at 06:10, lammps lammps <[email protected]> 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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