On Wed, Jun 29, 2005, Guanglei Cui wrote:
>
> The zeroed c3-os-p5-o term (see
> mmp.nox.top) was introduced as a 3-fold term with zero pk in frcmod, and
> it did replace the 2-fold generic term in gaff (see mmp.gaff.top).
I'm still lost here. Yesterday, you posted a prmtop file (called
"mmp.new.top") where there were clearly *both* 2-fold and 3-fold terms for
C1-O1-P1-O2. Today, your "mmp.nox.top" has only three-fold terms. But I
can't tell what you did differently between yesterday and today....
...dac
Received on Wed Apr 05 2006 - 23:49:55 PDT
