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
-- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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