Hello,
Would anybody know how i should provide
data (partial charges) in DELPHI (sorry if this is
bit misplaced..) if i wish to calculate the contribution
of a single residue/group to interaction (binding).
ie should i have only the charge on this atom to get the
potential --but how do i get the free energies at
the remote sites (if they are not charged..??? do
i put these charges to the frc input file??)
has anybody done this?
Thanks,
Tommi Kajander
Received on Tue Jun 24 2003 - 20:53:01 PDT
