Wattos has a problem with averaging dihedral angles when they exactly cancel each other out.

google-code-export / nmrrestrntsgrid

Automatically exported from code.google.com/p/nmrrestrntsgrid

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Wattos has a problem with averaging dihedral angles when they exactly cancel each other out. #167

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago

What steps will reproduce the problem?
1. Export 1b4c to xplor and some restraints don't make it through. 

What is the expected output? What do you see instead?

Please use labels and text to provide additional information.

Original issue reported on code.google.com by jurge...@gmail.com on 28 Jan 2009 at 1:53

GoogleCodeExporter commented 9 years ago

Actually fixed well now. Was simpler than to have to remember this feature.

Original comment by jurge...@gmail.com on 28 Jan 2009 at 3:56