Hi,

     I'm modelling a simple adsorption system using argon as my fluid and a carbon sheet as my sorbent. When I create my own forcefield using Dreiding, I calculate my values of Ro and Do for VDW interactions from literature for Ar-Ar, C-C and Ar-C bonds, but when I run Adsoption locator task it gives me C/D = 0. However, when I run fixed pressure tasks the C/D ≠ 0. I've looked at the forcefield created as a text file and I think it may have something to do with my calculated parameters being used as off diagonals, but I'm not too sure. Any help or input would be much appreciated.

Thanks

Jasmin