{"action":"created","issue":{"url":"https://api.github.com/repos/choderalab/perses/issues/127","repository_url":"https://api.github.com/repos/choderalab/perses","labels_url":"https://api.github.com/repos/choderalab/perses/issues/127/labels{/name}","comments_url":"https://api.github.com/repos/choderalab/perses/issues/127/comments","events_url":"https://api.github.com/repos/choderalab/perses/issues/127/events","html_url":"https://github.com/choderalab/perses/pull/127","id":134150676,"number":127,"title":"[WIP] Make proposal based on topological torsions","user":{"login":"pgrinaway","id":4674712,"avatar_url":"https://avatars.githubusercontent.com/u/4674712?v=3","gravatar_id":"","url":"https://api.github.com/users/pgrinaway","html_url":"https://github.com/pgrinaway","followers_url":"https://api.github.com/users/pgrinaway/followers","following_url":"https://api.github.com/users/pgrinaway/following{/other_user}","gists_url":"https://api.github.com/users/pgrinaway/gists{/gist_id}","starred_url":"https://api.github.com/users/pgrinaway/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/pgrinaway/subscriptions","organizations_url":"https://api.github.com/users/pgrinaway/orgs","repos_url":"https://api.github.com/users/pgrinaway/repos","events_url":"https://api.github.com/users/pgrinaway/events{/privacy}","received_events_url":"https://api.github.com/users/pgrinaway/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":18,"created_at":"2016-02-17T01:38:03Z","updated_at":"2016-02-17T22:34:24Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/choderalab/perses/pulls/127","html_url":"https://github.com/choderalab/perses/pull/127","diff_url":"https://github.com/choderalab/perses/pull/127.diff","patch_url":"https://github.com/choderalab/perses/pull/127.patch"},"body":"Still have a few things to do. I've written code to extract topological torsions from parmed. I need to get these into the proposal/logp bits, as well as allow calculation of improper torsions."},"comment":{"url":"https://api.github.com/repos/choderalab/perses/issues/comments/185439529","html_url":"https://github.com/choderalab/perses/pull/127#issuecomment-185439529","issue_url":"https://api.github.com/repos/choderalab/perses/issues/127","id":185439529,"user":{"login":"pgrinaway","id":4674712,"avatar_url":"https://avatars.githubusercontent.com/u/4674712?v=3","gravatar_id":"","url":"https://api.github.com/users/pgrinaway","html_url":"https://github.com/pgrinaway","followers_url":"https://api.github.com/users/pgrinaway/followers","following_url":"https://api.github.com/users/pgrinaway/following{/other_user}","gists_url":"https://api.github.com/users/pgrinaway/gists{/gist_id}","starred_url":"https://api.github.com/users/pgrinaway/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/pgrinaway/subscriptions","organizations_url":"https://api.github.com/users/pgrinaway/orgs","repos_url":"https://api.github.com/users/pgrinaway/repos","events_url":"https://api.github.com/users/pgrinaway/events{/privacy}","received_events_url":"https://api.github.com/users/pgrinaway/received_events","type":"User","site_admin":false},"created_at":"2016-02-17T22:34:24Z","updated_at":"2016-02-17T22:34:24Z","body":"On the constraint front, it looks like the remaining weirdness is that there are C-H pairs where there is neither a bond term nor a constraint (there should be a constraint). This is in the system that `GeometryEngine` accepts as input, so I wonder if there is a problem building that system (propane...). I'm playing around with it now."}}