Hi everyone,
I need to take into account the LJ interactions for the atoms that are bonded together and a harmonic angle is in effect among them. As far as I know, the bond terms switch off the non-bonded interactions for the involved atoms. If that is the case, is there a way to define a 3-body non-bonded term in the framework of cvff (.off file)?
I'd truly appreciate your response.
I need to take into account the LJ interactions for the atoms that are bonded together and a harmonic angle is in effect among them. As far as I know, the bond terms switch off the non-bonded interactions for the involved atoms. If that is the case, is there a way to define a 3-body non-bonded term in the framework of cvff (.off file)?
I'd truly appreciate your response.
