Can't reproduce I'm afraid; just a quick test of reflections on an Alanine
seems to give consistent results tleap to xleap. Possibly its fixed now,
has anyone modified tleap/xleap since AMBER 8?
Josh
On 18 November 2011 14:18, David A Case <case.biomaps.rutgers.edu> wrote:
> On Fri, Nov 18, 2011, Josh Berryman wrote:
> >
> > If anyone asked me then I would say that the correct behaviour should be
> to
> > allow creation of stereoisomers (tleap behaviour), rather than forbidding
> > it (xleap behaviour)...but as long as they are consistent then either way
> > should be OK.
>
> Can you give any details here, or is everything lost? I wasn't aware of
> any
> differences between tleap and xleap.
>
> ...thx...dac
>
>
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Received on Fri Nov 18 2011 - 06:30:03 PST
