AMBER Archive (2009)

Subject: [AMBER] DFT SK parameter for P atom

From: Qizhi Cui (Qizhi.Cui_at_bri.nrc.ca)
Date: Mon Feb 02 2009 - 13:59:19 CST

Hello,

I am using AMBER10 to run QM/MM simulation. I would like to use DFTB
theory and our system contains phosphate atom (P). We have downloaded
DFTB SK parameter files (mio-0-1) from www.dftb.org. But we cannot find
the parameter file for P atom. Does the current DFTB support P atom? If
so, where to get the SK parameter?

Thanks,
Qizhi

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