Hello,
I want to know how could i change the L-J potential to another form without change other expression. I use the compass forcefield in forcite,but the review says the intermolecule potential is not accurate using L-J form.And is the W99 and isoPAHAP forcefield (using Buckingham potential) available in MS?
I want to know how could i change the L-J potential to another form without change other expression. I use the compass forcefield in forcite,but the review says the intermolecule potential is not accurate using L-J form.And is the W99 and isoPAHAP forcefield (using Buckingham potential) available in MS?