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

anwar at cdfd.org.in anwar at cdfd.org.in
Thu Jun 15 06:40:01 CEST 2006

    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

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