[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!

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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