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google-code-export / nmrrestrntsgrid

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original amber file with high violations #140

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
contacted author about needing the amber pdb file. There were high violations 
so I asked for 
confirmation.

Original issue reported on code.google.com by schulte....@gmail.com on 24 Nov 2008 at 5:27

GoogleCodeExporter commented 9 years ago 
Author confirmed:

Thanks,

I discuss this problem with my coworker. In this system, the presence of metal 
ions can introduce violations of 
some restraints. 
So, I would confirm the restraints as they are.

Best regards,

Mirko Mori

Original comment by schulte....@gmail.com on 25 Nov 2008 at 2:48