[AMBER] MCPB.py cannot recognize Cl

From: Zhenyu Meng <fdmm1989.gmail.com>
Date: Tue, 5 Jul 2016 11:00:11 +0800

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 - 20:30:02 PDT
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