Hello,
There are Co2+ ion parameters provided with Amber14.
They are in the $AMBERHOME/dat/leap/parm directory, and are from the paper
below:
http://pubs.acs.org/doi/abs/10.1021/ct400146w
Other Co2+ parameters also exist and are discussed in the above paper.
-Christina
On Thu, Jul 31, 2014 at 7:58 AM, Jinfeng Huang <wwsshhjjff00.163.com> wrote:
> Dear Amber Users,
>
>
> I am simulating a protein with Co2+ at the active site. I have tried to
> search for the parameters that someone have released, but I found nothing.
> Herein, I hope you can provide me a strategy to solve the problem.
> Any help is greatly appreciated. Thank you!
>
> Jingfeng Huang
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
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Christina Bergonzo, PhD
Postdoctoral Researcher
Department of Medicinal Chemistry, University of Utah
30 South 2000 East, Rm. 201
Salt Lake City, UT 84112-5820
Office: L.S. Skaggs Pharmacy Research Institute, Rm.4290
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652 / Fax: (801) 585-6208
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Received on Thu Jul 31 2014 - 07:30:03 PDT
