And when I use these three fixs (fix nph, fix langvin and fix nve) together for the same group atoms, I got warning: >"WARNING: One or more atoms are time integrated more than once". I can't figure out why.
Fix nph is an integrator. You should not use it with fix nve. Else
you're integrating the same atoms twice. That's why you
get the warning.
2009/9/11 惠Hui 欧阳Ouyang <[email protected]>: