Hi all,
I am calculating the potential energy of Poly Vinyl Alchohol using forcite module of two different FF(COMPASS & DREIDING). I am getting two different potential energy values of -5355 and -2262. Apart from this in Dreiding FF I am getting H-bond energy, which is missing in COMPASS.
Can anyone explain this, and suggest which one I should take if I calculate interaction energy AL metal surface?
I am calculating the potential energy of Poly Vinyl Alchohol using forcite module of two different FF(COMPASS & DREIDING). I am getting two different potential energy values of -5355 and -2262. Apart from this in Dreiding FF I am getting H-bond energy, which is missing in COMPASS.
Can anyone explain this, and suggest which one I should take if I calculate interaction energy AL metal surface?
