On Sun, Mar 27, 2011, yildirim.pas.rochester.edu wrote:
>
> Even though I am the first to publish and show the importance
> of the chi revision, ff10 with the references Jason gave imply that they
> found out the problem on chi torsion.
I don't think the implication you state is correct. The references in the
Users' Manual point people to the papers that are most directly relevant to
the force fields we support. There is no way that the Users' Manual should be
considered as a review of the field, or that failure to cite some paper
implies anything about its general contribution to the field.
That said, we certainly want the Users' Manual to help Amber users find
important information, and I have asked the ff developers (who follow this
mailing list) to review how ff10 is described there, in anticipation of
the release of AmberTools 1.5 in a few weeks. For proteins, we provide
LEaP input files and instructions for several torsion modifications
(which were provided by their developers), and the same could be done for
alternate RNA chi parameterizations.
...best regards...dac
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Received on Mon Mar 28 2011 - 07:30:04 PDT
