[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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