[gmx-users] reduced units
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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