On Mon, Sep 27, 2010, Christopher Roberts wrote:
> I've noticed while working with the ff99SB forcefield that there are
> some atom parameters in parm99.dat for atom types that do not appear
> in the leaprc.
Thanks for the report. I know about many of these, but have been reluctant to
issue a "bugfix", since some people might be relying upon this weird behavior,
which I don't believe causes problems for anything that is in the standard
Amber libraries.
As we go forward to new leaprc files, I'll try to make sure that things get
cleaned up.
....regards...dac
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Received on Wed Sep 29 2010 - 12:30:08 PDT
