[DFTB-Plus-User] about param of Phosphate and sulfur
Bálint Aradi
balint.aradi at bccms.uni-bremen.de
Mon Aug 23 12:33:12 CEST 2010
Dear Zhenhao XU,
>
> Currently, i'm dealing with DNA and protein claculation with DFTB+.
>
> But we lack the parameterization info on element P & S.
S is in the mio set. P is not available.
Best regards,
Bálint Aradi
--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi
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