I just wanted to know if there is a scaling rule applied for determining the van der Waal parameters (sigma and well depth of carbonyl oxygen and aliphatic carbon in acetic acid) for the 1-4 non-bonded interactions. I know that for OPLS-AA force field, the potential parameters are scaled by 1/2, for 1-4 non-bonded interactions.



Last edited by alex; 03/11/04 10:41 PM.