Dear AMBER developers,
Comparing MMPBSA results with radiopt option set to 0 or 1, I obtain
different values for the dispersion term (and of course for the PB term,
but the same value for the cavity term). Is this expected?
This was already mentioned
(
http://archive.ambermd.org/201702/0421.html).
I was thinking that radiopt=1 would only affect the PB radii, not the
radii used for the cavity and dispersion terms.
Thanks for your time,
--
Thomas Gaillard
Professeur assistant
Laboratoire de Biochimie
Ecole Polytechnique
91128 Palaiseau cedex
tel: +33 1 69 33 48 62
fax: +33 1 69 33 49 09
thomas.gaillard.polytechnique.edu
http://thomasgaillard.fr
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Received on Mon May 13 2019 - 10:00:02 PDT
