Ion Au+3 simulation

From: Daniel Torrente (
Date: Tue Jun 03 2014 - 13:31:40 CDT

Hi guys,

Is there any available force field that can simulated the interaction
between Au+3 and a protein? I was looking for some information in articles
and the mailing list related to this topics, but all I could find was the
GoiP and GoiP-charmm (immobile surface Au). Also found the charmm-metal ff
but it seems that only works with the metal Au and not with the ion Au+3
(there is no information in the ff about Au+3).

Any suggestion on how to approach this type of interaction? or or could I
do this with any of the ff that I mentioned before?

Thanks in advance

Daniel Torrente

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