ADL: AutoDock Vina: Change dielectric constant of solvent?

Diogo Santos Martins diogom at scripps.edu
Sat Nov 14 12:39:17 PST 2020


Hi,

There's no solvent or electrostatics in the Vina scoring function. You could disable the hydrophobic term with "--weight_hydrophobic 0" if that makes sense for your system.

Best regards,
________________________________
From: autodock-bounces at scripps.edu <autodock-bounces at scripps.edu> on behalf of Henrik Schopmans <h.schopmans at gmail.com>
Sent: Saturday, November 14, 2020 3:59 AM
To: autodock at scripps.edu <autodock at scripps.edu>
Subject: ADL: AutoDock Vina: Change dielectric constant of solvent?

Dear all,

is it somehow possible to change the dielectric constant of the solvent in
Autodock Vina? I'd like to use chloroform as solvent.

Best regards and thank you in advance,
Henrik
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