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? 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. -- wende
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