How to set POTIM in molecular dynamics simulations
Posted: Wed May 13, 2009 5:44 am
when I do molecular dynamics simulations, how to set POTIM parameters?IS POTIM=1.2 reasonable?
another question is when the model contain H atom, should I reset the H mass to 2 or 3?why?
another question is when the model contain H atom, should I reset the H mass to 2 or 3?why?