Hi Zhenyu,
Which version of MCPB.py did you use? Did you use the newest version?
Kind regards,
Pengfei
> On Jul 4, 2016, at 11:00 PM, Zhenyu Meng <fdmm1989.gmail.com> wrote:
>
> Dear Amber Users,
> Recently I'm using MCPB.py to build a Pt-complex(no bio molecule).
> My complex has one chloride ion connected to Pt, but when using MCPB.py to
> proceed it, the Cl cannot be recognized within metal pocket.
>
> ***Selected Metal ion PT is atom 1 in residue 1-PT
> 2-RES.N1 is in 2.8 Angstrom of 2-RES.N1
> 2-RES.N2 is in 2.8 Angstrom of 2-RES.N2
> 2-RES.N3 is in 2.8 Angstrom of 2-RES.N3
> ***The following residues are in the Metal Site:
> Residue 1-PT
> Residue 2-RES
> ***The large model contains the following residues:
> [1, 2]
>
> I'm not quite sure whether it will affect the later processing, is there
> anyone able to help?
> Your help will be high appreciated!
>
> --
> Sincerely,
> Mr. Meng Zhenyu
> Division of Chemistry and Biological Chemistry
> School of Physical and Mathematical Sciences
> Nanyang Technological University
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Received on Mon Jul 04 2016 - 20:30:04 PDT
