{"action":"opened","issue":{"url":"https://api.github.com/repos/choderalab/gaff2xml/issues/89","labels_url":"https://api.github.com/repos/choderalab/gaff2xml/issues/89/labels{/name}","comments_url":"https://api.github.com/repos/choderalab/gaff2xml/issues/89/comments","events_url":"https://api.github.com/repos/choderalab/gaff2xml/issues/89/events","html_url":"https://github.com/choderalab/gaff2xml/issues/89","id":60185937,"number":89,"title":"Update scheme for generating canonical AM1-BCC charges","user":{"login":"jchodera","id":3656088,"avatar_url":"https://avatars.githubusercontent.com/u/3656088?v=3","gravatar_id":"","url":"https://api.github.com/users/jchodera","html_url":"https://github.com/jchodera","followers_url":"https://api.github.com/users/jchodera/followers","following_url":"https://api.github.com/users/jchodera/following{/other_user}","gists_url":"https://api.github.com/users/jchodera/gists{/gist_id}","starred_url":"https://api.github.com/users/jchodera/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jchodera/subscriptions","organizations_url":"https://api.github.com/users/jchodera/orgs","repos_url":"https://api.github.com/users/jchodera/repos","events_url":"https://api.github.com/users/jchodera/events{/privacy}","received_events_url":"https://api.github.com/users/jchodera/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":0,"created_at":"2015-03-07T02:30:50Z","updated_at":"2015-03-07T02:30:50Z","closed_at":null,"body":"It looks like Christopher Bayly has an updated detailed recipe for generating canonical AM1-BCC charges:\r\nhttp://docs.eyesopen.com/toolkits/cookbook/python/modeling/am1-bcc.html\r\n\r\nWe should probably update ours to use this."}}