tbereau / auto_martini

Automatic MARTINI parametrization of small organic molecules
GNU General Public License v2.0
59 stars 22 forks source link

Fixed not defined angle_list #26

Closed txemaotero closed 3 years ago

txemaotero commented 4 years ago

Hi tbereau, I was using your tool and the code was given me this error when it is executed with the --fpred flag in the dev branch: NameError: name 'angle_list' is not defined I modified the code and now it is finishing the tasks. Check if I made the correct changes. Thank you very much for providing this tool to the comunity!