Hi Pengfei,
What I used is the original version in Ambertools15. I installed it maybe
last year.
In your opinion, a newer version can overcome such problem?
Thanks again!
2016-07-05 11:07 GMT+08:00 Pengfei Li <ambermailpengfei.gmail.com>:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
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>
--
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
