{"action":"created","issue":{"url":"https://api.github.com/repos/alchemistry/alchemlyb/issues/7","repository_url":"https://api.github.com/repos/alchemistry/alchemlyb","labels_url":"https://api.github.com/repos/alchemistry/alchemlyb/issues/7/labels{/name}","comments_url":"https://api.github.com/repos/alchemistry/alchemlyb/issues/7/comments","events_url":"https://api.github.com/repos/alchemistry/alchemlyb/issues/7/events","html_url":"https://github.com/alchemistry/alchemlyb/issues/7","id":205706039,"number":7,"title":"NAMD parsers","user":{"login":"dotsdl","id":1326811,"avatar_url":"https://avatars3.githubusercontent.com/u/1326811?v=4","gravatar_id":"","url":"https://api.github.com/users/dotsdl","html_url":"https://github.com/dotsdl","followers_url":"https://api.github.com/users/dotsdl/followers","following_url":"https://api.github.com/users/dotsdl/following{/other_user}","gists_url":"https://api.github.com/users/dotsdl/gists{/gist_id}","starred_url":"https://api.github.com/users/dotsdl/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/dotsdl/subscriptions","organizations_url":"https://api.github.com/users/dotsdl/orgs","repos_url":"https://api.github.com/users/dotsdl/repos","events_url":"https://api.github.com/users/dotsdl/events{/privacy}","received_events_url":"https://api.github.com/users/dotsdl/received_events","type":"User","site_admin":false},"labels":[{"id":515474022,"url":"https://api.github.com/repos/alchemistry/alchemlyb/labels/parsers","name":"parsers","color":"5319e7","default":false}],"state":"open","locked":false,"assignee":{"login":"davidlmobley","id":7132257,"avatar_url":"https://avatars0.githubusercontent.com/u/7132257?v=4","gravatar_id":"","url":"https://api.github.com/users/davidlmobley","html_url":"https://github.com/davidlmobley","followers_url":"https://api.github.com/users/davidlmobley/followers","following_url":"https://api.github.com/users/davidlmobley/following{/other_user}","gists_url":"https://api.github.com/users/davidlmobley/gists{/gist_id}","starred_url":"https://api.github.com/users/davidlmobley/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davidlmobley/subscriptions","organizations_url":"https://api.github.com/users/davidlmobley/orgs","repos_url":"https://api.github.com/users/davidlmobley/repos","events_url":"https://api.github.com/users/davidlmobley/events{/privacy}","received_events_url":"https://api.github.com/users/davidlmobley/received_events","type":"User","site_admin":false},"assignees":[{"login":"davidlmobley","id":7132257,"avatar_url":"https://avatars0.githubusercontent.com/u/7132257?v=4","gravatar_id":"","url":"https://api.github.com/users/davidlmobley","html_url":"https://github.com/davidlmobley","followers_url":"https://api.github.com/users/davidlmobley/followers","following_url":"https://api.github.com/users/davidlmobley/following{/other_user}","gists_url":"https://api.github.com/users/davidlmobley/gists{/gist_id}","starred_url":"https://api.github.com/users/davidlmobley/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davidlmobley/subscriptions","organizations_url":"https://api.github.com/users/davidlmobley/orgs","repos_url":"https://api.github.com/users/davidlmobley/repos","events_url":"https://api.github.com/users/davidlmobley/events{/privacy}","received_events_url":"https://api.github.com/users/davidlmobley/received_events","type":"User","site_admin":false}],"milestone":null,"comments":2,"created_at":"2017-02-06T20:58:56Z","updated_at":"2017-11-28T01:21:17Z","closed_at":null,"author_association":"MEMBER","body":"In line with the overall [API proposal](http://alchemlyb.readthedocs.io/en/latest/api_proposal.html), we want to have parsers for each of the major MD engines, and eventually have coverage for all of those in use. Since there are essentially two types of estimators (TI and FEP), each packages needs a parser for:\r\n1. Extracting reduced potentials `u_nk` from output files (for FEP).\r\n2. Extracting derivatives `DHdl` from output files (for TI).\r\n\r\nThis issue is the nexus for discussion for such parsers for the **NAMD** package. If you have existing parsing code for this package, comment below and we can begin adapting it into the parsers outlined above in a PR."},"comment":{"url":"https://api.github.com/repos/alchemistry/alchemlyb/issues/comments/347382558","html_url":"https://github.com/alchemistry/alchemlyb/issues/7#issuecomment-347382558","issue_url":"https://api.github.com/repos/alchemistry/alchemlyb/issues/7","id":347382558,"user":{"login":"davidlmobley","id":7132257,"avatar_url":"https://avatars0.githubusercontent.com/u/7132257?v=4","gravatar_id":"","url":"https://api.github.com/users/davidlmobley","html_url":"https://github.com/davidlmobley","followers_url":"https://api.github.com/users/davidlmobley/followers","following_url":"https://api.github.com/users/davidlmobley/following{/other_user}","gists_url":"https://api.github.com/users/davidlmobley/gists{/gist_id}","starred_url":"https://api.github.com/users/davidlmobley/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davidlmobley/subscriptions","organizations_url":"https://api.github.com/users/davidlmobley/orgs","repos_url":"https://api.github.com/users/davidlmobley/repos","events_url":"https://api.github.com/users/davidlmobley/events{/privacy}","received_events_url":"https://api.github.com/users/davidlmobley/received_events","type":"User","site_admin":false},"created_at":"2017-11-28T01:21:17Z","updated_at":"2017-11-28T01:21:17Z","author_association":"NONE","body":"I talked to @limvt about this today. She could use some of her existing data, but we also batted around the idea of generating some sample data for a simpler test system."}}
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