[AMBER] vdw radii of sodium ion in GAFF

From: Qasim Pars <qasimpars.gmail.com>
Date: Sat, 2 Feb 2019 03:34:55 +0300

Dear users,

I would calculate the hydration free energy of sodium ion (Na+) using the
generalized Born approximation but I couldn't find the Van der Waals radii
of Na+ in GAFF. There are the vdw parameters of some atoms at the end of
the table 14 in this paper https://pubs.acs.org/doi/10.1021/ja00124a002 but
Na+ is not there.

It will be appreciated if someone suggests me a reference for vdw radii or
R* value of Na+ in GAFF.

Qasim Pars
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Received on Fri Feb 01 2019 - 17:00:02 PST
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