{"action":"created","issue":{"url":"https://api.github.com/repos/choderalab/alchemy/issues/46","repository_url":"https://api.github.com/repos/choderalab/alchemy","labels_url":"https://api.github.com/repos/choderalab/alchemy/issues/46/labels{/name}","comments_url":"https://api.github.com/repos/choderalab/alchemy/issues/46/comments","events_url":"https://api.github.com/repos/choderalab/alchemy/issues/46/events","html_url":"https://github.com/choderalab/alchemy/pull/46","id":181070691,"number":46,"title":"Fix PME direct-space and add host-guest overlap test","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,"assignees":[],"milestone":null,"comments":2,"created_at":"2016-10-05T05:53:38Z","updated_at":"2016-10-05T14:40:56Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/choderalab/alchemy/pulls/46","html_url":"https://github.com/choderalab/alchemy/pull/46","diff_url":"https://github.com/choderalab/alchemy/pull/46.diff","patch_url":"https://github.com/choderalab/alchemy/pull/46.patch"},"body":"Fixes #45 and adds a host-guest test."},"comment":{"url":"https://api.github.com/repos/choderalab/alchemy/issues/comments/251694749","html_url":"https://github.com/choderalab/alchemy/pull/46#issuecomment-251694749","issue_url":"https://api.github.com/repos/choderalab/alchemy/issues/46","id":251694749,"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},"created_at":"2016-10-05T14:40:56Z","updated_at":"2016-10-05T14:40:56Z","body":"Now I'm seeing a failure [here](https://travis-ci.org/choderalab/alchemy/jobs/165152252#L750-L759)---not sure which system yet:\r\n```\r\n======================================================================\r\nERROR: Compare annihilated electrostatics / decoupled sterics states in vacuum and a large box.\r\n----------------------------------------------------------------------\r\nTraceback (most recent call last):\r\n  File \"/home/travis/miniconda/envs/test/lib/python2.7/site-packages/nose/case.py\", line 197, in runTest\r\n    self.test(*self.arg)\r\n  File \"/home/travis/miniconda/envs/test/lib/python2.7/site-packages/alchemy-1.3.0-py2.7.egg/alchemy/tests/test_alchemy.py\", line 336, in test_denihilated_states\r\n    raise Exception(\"Maximum allowable difference lambda=1 energy and lambda=0 energy in vacuum and periodic box exceeded (was %.8f kcal/mol; allowed %.8f kcal/mol); test failed.\" % (delta / unit.kilocalories_per_mole, MAX_DELTA / unit.kilocalories_per_mole))\r\nException: Maximum allowable difference lambda=1 energy and lambda=0 energy in vacuum and periodic box exceeded (was 2.74731396 kcal/mol; allowed 0.59616198 kcal/mol); test failed.\r\n-------------------- >> begin captured logging << --------------------\r\n```"}}
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