[gmx-users] RE: heme / specbond.dat

[Anton Feenstra]

Tsjerk Wassenaar wrote:
> 
> 5
> CYS     SG      1    CYS        SG      1    0.2        CYS2    CYS2
[...]
> 
> The connections are based on a distance matrix and will only be
> formed when the distance between the atoms is shorter than a
> maximum distance given in this file, 

No, the file gives the *optimal* bond length. The bond will only be 
created if the actual distance is within 10% of the optimal length.

-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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