Final topologies lack [ molecules ] section

MobleyLab / alchemical-setup

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Closed davidlmobley closed 8 years ago

davidlmobley commented 8 years ago

The [ molecules ] section is not constructed for output topologies, and so it has to be added by hand. It needs to be constructed automatically.

davidlmobley commented 8 years ago

@camizanette , this is your issue.

davidlmobley commented 8 years ago

Fixed by #6 . Marking as resolved.