[gmx-users] adding new residue (MSE) in topology database

[anwar at cdfd.org.in]

hello,
I am trying to add Selenomethionine (MSE) residue in to the topology 
database. And I have to calculate the van der waals parameters V(c6)
and W(c12) as they have to be mentioned in ff???nb.itp, for which I
have to get the sigma and epsilon values. Where can I find these
valuse or how can I calculate them.
   thanks in advance
Anwar



-