On Tue, May 20, 2014, Gerald Monard wrote:
>
> As suggested by Jason, you should use some continuum model to
> counter-balance the strong intermolecular electrostatic interactions,
> but this is not available in sqm afaik.
If you set up a "pure" qm system in sander, you can add the GB solvent model.
(But the setup is harder than with just sqm itself.)
....dac
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Received on Tue May 20 2014 - 09:00:03 PDT
