[DFTB-Plus-User] Help on phosphorus zinc parameters

[Per Jr. Greisen]

---------- Forwarded message ----------
From: "Per Jr. Greisen" <pgreisen at gmail.com>
Date: Apr 29, 2015 8:52 AM
Subject: Help on phosphorus zinc parameters
To: <dftb-announce at mailman.zfn.uni-bremen.de>
Cc:

Hi ,

I am trying perform a qm/mm simulation of enzyme reaction and I would like
to use SCC DFTB. The QM region of my system contains the following atom
types: O,H,N,P,S,Zn - I have been looking through all the parameters for
DFTB and I think I would get a problem with the P-Zn missing file? Is there
a way to get these parameters or will I have to look for a different method
for the QM region - thanks

-- 
With kind regards

Per
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