{"action":"closed","issue":{"url":"https://api.github.com/repos/BALL-Project/ball/issues/384","labels_url":"https://api.github.com/repos/BALL-Project/ball/issues/384/labels{/name}","comments_url":"https://api.github.com/repos/BALL-Project/ball/issues/384/comments","events_url":"https://api.github.com/repos/BALL-Project/ball/issues/384/events","html_url":"https://github.com/BALL-Project/ball/issues/384","id":58304333,"number":384,"title":"Forcefield initialization for a single amino-acid not working","user":{"login":"anhi","id":1349738,"avatar_url":"https://avatars.githubusercontent.com/u/1349738?v=3","gravatar_id":"","url":"https://api.github.com/users/anhi","html_url":"https://github.com/anhi","followers_url":"https://api.github.com/users/anhi/followers","following_url":"https://api.github.com/users/anhi/following{/other_user}","gists_url":"https://api.github.com/users/anhi/gists{/gist_id}","starred_url":"https://api.github.com/users/anhi/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/anhi/subscriptions","organizations_url":"https://api.github.com/users/anhi/orgs","repos_url":"https://api.github.com/users/anhi/repos","events_url":"https://api.github.com/users/anhi/events{/privacy}","received_events_url":"https://api.github.com/users/anhi/received_events","type":"User","site_admin":false},"labels":[{"url":"https://api.github.com/repos/BALL-Project/ball/labels/C:%20BALL%20Core","name":"C: BALL Core","color":"0000aa"},{"url":"https://api.github.com/repos/BALL-Project/ball/labels/P:%20minor","name":"P: minor","color":"dcffff"},{"url":"https://api.github.com/repos/BALL-Project/ball/labels/R:%20wontfix","name":"R: wontfix","color":"55ff55"},{"url":"https://api.github.com/repos/BALL-Project/ball/labels/T:%20defect","name":"T: defect","color":"cccccc"}],"state":"closed","locked":false,"assignee":{"login":"anhi","id":1349738,"avatar_url":"https://avatars.githubusercontent.com/u/1349738?v=3","gravatar_id":"","url":"https://api.github.com/users/anhi","html_url":"https://github.com/anhi","followers_url":"https://api.github.com/users/anhi/followers","following_url":"https://api.github.com/users/anhi/following{/other_user}","gists_url":"https://api.github.com/users/anhi/gists{/gist_id}","starred_url":"https://api.github.com/users/anhi/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/anhi/subscriptions","organizations_url":"https://api.github.com/users/anhi/orgs","repos_url":"https://api.github.com/users/anhi/repos","events_url":"https://api.github.com/users/anhi/events{/privacy}","received_events_url":"https://api.github.com/users/anhi/received_events","type":"User","site_admin":false},"milestone":null,"comments":0,"created_at":"2015-02-20T02:55:18Z","updated_at":"2015-02-20T02:55:39Z","closed_at":"2015-02-20T02:55:39Z","body":"**Reported by stefan helfrich on 21 Dec 41564840 17:57 UTC**\nWhen creating a single amino-acid peptide with the peptide builder, the initialization of AMBER and CHARMM fails. This is the case for every amino-acid. MMFF94 works fine for all AAs.\r\n\r\nThere seems to be a problem with the determination of the atom types during the initialization process. Might be a problem concerning the FragmentDB."}}