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TinkerTools / tinker

Tinker: Software Tools for Molecular Design
https://dasher.wustl.edu/tinker/
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When using xyzpdb, box parameters were not added #49

Closed nabraham47 closed 5 years ago

nabraham47 commented 5 years ago

I created an if statement in the code for the xyzpdb binary that would add the box vectors and angles into the .pdb file.

jayponder commented 5 years ago

This has been added as a minor modification of the code in the pull request.