the heating rate in molecular dynamics
Posted: Thu Mar 11, 2010 9:46 am
when we perform the molecular dynamics from 300-900K,NSW =1000,POTIM = 1.2 fs,Then the heating rate is 0.5K/fs, I want to ask is the heating rate in simulation comparable with the experimental heating rate?
And how should we select the heating rate?
Thank you for your help
And how should we select the heating rate?
Thank you for your help