Hello Vitaly--
>
> Recently I have tested the water refinement script (Xplor-NIH 2.31).
> The run completed fine, but upon inspection I noticed the aromatic
> side chains had their planarity distorted. For example, CG-CD-CE-CZ
> dihedral in Phe side chain was 4.8 degrees, the ring adopting a chair
> conformation.
This is not the behavior I observe. Perhaps there are errors reported
in the log file?
best regards--
Charles
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Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
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