[chimera-dev] Following on new atom types.

Eric Pettersen pett at cgl.ucsf.edu
Fri Mar 15 16:21:00 PDT 2013


On Mar 15, 2013, at 4:13 PM, Eric Pettersen wrote:

> break the four bonds to the platinum and treat the system as a metal ion surrounded by four negative ion species and minimize that.

One further note:  you will need to ensure that after breaking the bonds you set the idatmType of the nitrogens to N3 (it will probably be N3+).

--Eric


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