[gmx-users] ZN2+ qtot 1.233e-06 ?

[Chih-Ying Lin]

Hi
I issued "pdb2gmx with G45a3 force field" on the "bovine carbonic
anhydrase"

>From the .top value, the ZN+2 is given qtot 1.233e-06 ......

  2611       ZN2+    257     ZN     ZN   1137          2      65.37   ; qtot
1.233e-06

I am confused with the charges.
Isn't ZN+2 carrying +2 charges ??


Thank you
Lin
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