[gmx-users] reduced units

lammps lammps lammp2forum at gmail.com
Sat Oct 17 06:10:09 CEST 2009


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?

2. If I use the reduced temperature of 1, should the ref_t in the .mdp file
be the 120.2717 ?  Right?

3. I create the force field(.itp and .top) within the reduced units myself.
Are there any suggestion for avoiding errors?

Thanks in advance.

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