Dear users,
I use the Cationic Dummy Atom methods by Pang to simulate a protein
containing Zn2+. How to get the parameters in [ virtual_sites? ] section? I use
the model 4fd.
In the following example, how to get the value of parameters a, b and d?
[ virtual sites4 ]
; Site from funct a b d
5 1 2 3 4 1 0.33333 0.33333 -0.105
Thanks in advance!
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