[AMBER] disulfide bond warnings

From: George Tzotzos <gtzotzos.me.com>
Date: Tue, 20 Mar 2012 19:30:29 +0100

Hi everybody,

In building a topology file, I get the following disulfide bond warnings:

Checking Unit.
WARNING: There is a bond of 3.493686 angstroms between:
------- .R<CYX 19>.A<SG 8> and .R<CYX 54>.A<SG 8>
WARNING: There is a bond of 3.201259 angstroms between:
------- .R<CYX 50>.A<SG 8> and .R<CYX 108>.A<SG 8>
WARNING: There is a bond of 3.240445 angstroms between:
------- .R<CYX 97>.A<SG 8> and .R<CYX 117>.A<SG 8>
WARNING: The unperturbed charge of the unit: -8.998000 is not zero.

Is it safe to disregards them?

Note that the original pdb file was built by means of homology modelling.

Many thanks for any suggestions


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Received on Tue Mar 20 2012 - 12:00:03 PDT
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