Re: [AMBER] Calcium possibly replaced by carbon with MCPB

From: <mmaestre.gate.sinica.edu.tw>
Date: Tue, 14 Oct 2014 07:28:38 +0800 (CST)

Hi Francois!

Yes, I am aware of R.E.D., and I've used it before to very good results! Again, my question would be, since the idea is to compare the stability of the metal site in the presence of either Ca or Mn, how comparable do you think would it be, if I use RED for Ca, and MCPB for Mn? Or would you rather recommend that, if I use RED, I do everything with RED?

Thanks,
Manuel

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Received on Mon Oct 13 2014 - 16:30:03 PDT
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