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

From: MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
Date: Wed, 26 Apr 2017 09:59:30 +0530

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 - 21:30:02 PDT
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