As title, it says the pcff version is v 3.1
What is the difference between the 3.1 pcff and the one usually we see in other published paper.
I have checked the following papers, but they are talking about "An ab Initio CFF93 All-Atom Force Field for Polycarbonates",
looks like not the exact pcff.
1) Huai Sun, Stephen J. Mumby, Jon R. Maple, and Arnold T. Hagler
J. Am. Chem. Soc., 116, 2978, 1994.
2) Huai Sun, Stephen J. Mumby, Jon R. Maple, and Arnold T. Hagler
J. Phy. Cehm. 99, 5873, 1995.
3) Huai Sun, Macromolecules, 28, 701, 1995.
4) Huai Sun, Macromolecules, 26, 5924, 1994.
5) Huai Sun, J. Comp. Chem. 15, 752, 1994.
Is anybody knows about where i can see the further details of this forcefield in MS?
Really need help to check the validity of the forcefield, then I can do further MD simulations~
Thx a lot~