Hi Zhenyu,
Yeah. I would suggested you to use the version 2.0c: https://github.com/Amber-MD/pymsmt/releases/tag/v2.0c <https://github.com/Amber-MD/pymsmt/releases/tag/v2.0c>.
Please let me know whether it works.
Kind regards,
Pengfei
> On Jul 4, 2016, at 11:14 PM, Zhenyu Meng <fdmm1989.gmail.com> wrote:
>
> 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
>>
>>
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>>
>
>
>
> --
> 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
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Received on Mon Jul 04 2016 - 20:30:05 PDT
