Hi all.

I'm using DS 2.5 (also have 2.1) and I want to do 2 things in it:

1) I want to change (manually, to values I choose) some atoms'(of standard amino acids typed with CHARMm) Van der walls radii. How (if) can I do it?

2)I want to include some explicit water molecules within the pKa calculation module (i.e. "calculate protein ionization..." etc.).
Again, how (if) can I do it?

Thank you very much,
Amir