Re: [AMBER] Trouble with simple MD simulation of short peptide and Cu2+ ion

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 25 Apr 2017 21:33:07 -0700

2) Add TER between protein and Cu atom in pdb file.

That's the right answer for an unbonded ion.

Bill

On 4/25/17 9:29 PM, MOHD HOMAIDUR RAHMAN wrote:
> Follow this step may resolve your issue.
>
> 1)Make sure that, you have loaded right parameter for Cu2+ from library
> 2) Add TER between protein and Cu atom in pdb file.
>
> HTH
> Rahman
>
>> Could not find bond parameter for: O - Cu2+
>>> Building angle parameters.
>>> Could not find angle parameter: C - O - Cu2+
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Received on Tue Apr 25 2017 - 22:00:02 PDT
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