Reply To: a trouble during floppytail modeling

[Anonymous]

For enzyme design we typically use a hack_elec weight of 0.25, but we also typically turn on exclude_protein_protein_hack_elec in the EnergyMethodOptions object {e.g. sfxn->energy_method_options().exclude_protein_protein_hack_elec(true)} so that we only include the electrostatics to the non-protein residues – protein-protein interactions are still covered by fa_pair. Some of the protein-DNA interaction people have been getting good results by turning off the fa_pair term entirely, and then setting hack_elec to about 0.5 or so.