{"action":"created","issue":{"url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/1799","repository_url":"https://api.github.com/repos/MDAnalysis/mdanalysis","labels_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/1799/labels{/name}","comments_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/1799/comments","events_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/1799/events","html_url":"https://github.com/MDAnalysis/mdanalysis/issues/1799","id":302168640,"number":1799,"title":"Regarding printing the values of Hydrogen bond","user":{"login":"cy16f01","id":30516979,"avatar_url":"https://avatars2.githubusercontent.com/u/30516979?v=4","gravatar_id":"","url":"https://api.github.com/users/cy16f01","html_url":"https://github.com/cy16f01","followers_url":"https://api.github.com/users/cy16f01/followers","following_url":"https://api.github.com/users/cy16f01/following{/other_user}","gists_url":"https://api.github.com/users/cy16f01/gists{/gist_id}","starred_url":"https://api.github.com/users/cy16f01/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/cy16f01/subscriptions","organizations_url":"https://api.github.com/users/cy16f01/orgs","repos_url":"https://api.github.com/users/cy16f01/repos","events_url":"https://api.github.com/users/cy16f01/events{/privacy}","received_events_url":"https://api.github.com/users/cy16f01/received_events","type":"User","site_admin":false},"labels":[{"id":224541680,"url":"https://api.github.com/repos/MDAnalysis/mdanalysis/labels/Component-Analysis","name":"Component-Analysis","color":"0088ee","default":false},{"id":195620632,"url":"https://api.github.com/repos/MDAnalysis/mdanalysis/labels/question","name":"question","color":"cc317c","default":true}],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":3,"created_at":"2018-03-05T04:31:41Z","updated_at":"2018-03-07T23:09:08Z","closed_at":null,"author_association":"NONE","body":"I have a glycine-water mixture and now i want to calculate the hydrogen bonding between the C-alpha and the Oxygen of water molecules (Calpha-Ow). So, here is my code (I am running with python 3.6 version... with 0.17.0 MDAnalysis version)\r\n\r\nimport MDAnalysis\r\nimport MDAnalysis.analysis.hbonds\r\nu = MDAnalysis.Universe('nptmd.tpr', 'nptmd.trr')\r\nh = MDAnalysis.analysis.hbonds.HydrogenBondAnalysis(u, 'resname CA', 'resname OW', distance=3.0, angle=120.0)\r\nh.run()\r\n\r\nI am getting the error as:\r\nSelectionWarning:No donors found in selection 1. You might have to specify a custom 'donors' keyword. Selection will update so continuing with fingers crossed. warnings.warn(errmsg, category=SelectionWarning)\r\nSelectionWarning: No acceptors found in selection 1. You might have to specify a custom 'acceptors' keyword. Selection will update so continuing with fingers crossed.warnings.warn(errmsg, category=SelectionWarning)\r\n\r\nMy questions are:\r\n1) How to solve the above error issue.?? \r\n2) I want the atoms Ow, but i am giving resname OW.. is this fine..?? (can anybody tell how to attach the .gro file..?? i tried but it is showing \"We don't support that file type...\" )\r\n3) How do i print the values of this..?? and plot the graph..??\r\n\r\nThis is my .gro file...\r\n1GLY      N    1   0.268   0.266   1.199 \r\n1GLY     H1    2   0.282   0.164   1.183\r\n1GLY     H2    3   0.311   0.291   1.290\r\n1GLY     H3    4   0.314   0.323   1.126 \r\n1GLY     CA    5   0.122   0.298   1.220  \r\n1GLY    HA1    6   0.104   0.391   1.271 \r\n1GLY    HA2    7   0.074   0.225   1.283  \r\n1GLY      C    8   0.036   0.312   1.095  \r\n1GLY    OT1    9  -0.090   0.336   1.101 \r\n1GLY    OT2   10   0.088   0.305   0.978  \r\n2SOL     OW   11   1.017   1.340   0.610  \r\n2SOL    HW1   12   1.098   1.373   0.561  \r\n2SOL    HW2   13   1.043   1.263   0.669  \r\n3SOL     OW   14   0.715   0.377   1.691  \r\n3SOL    HW1   15   0.677   0.403   1.602  \r\n3SOL    HW2   16   0.732   0.278   1.692  \r\n4SOL     OW   17   1.518   2.216   1.252  \r\n4SOL    HW1   18   1.538   2.157   1.330 \r\n4SOL    HW2   19   1.438   2.182   1.203 \r\n5SOL     OW   20   1.751   1.879   2.188  \r\n5SOL    HW1   21   1.812   1.803   2.169 \r\n5SOL    HW2   22   1.656   1.848   2.179  ... and so on...\r\n\r\nAny suggestions @orbeckst, @richardjgowers, @dotsdl, @arose... are highly appreciated...\r\n\r\nThank you.\r\n"},"comment":{"url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/comments/371318526","html_url":"https://github.com/MDAnalysis/mdanalysis/issues/1799#issuecomment-371318526","issue_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/1799","id":371318526,"user":{"login":"orbeckst","id":237980,"avatar_url":"https://avatars0.githubusercontent.com/u/237980?v=4","gravatar_id":"","url":"https://api.github.com/users/orbeckst","html_url":"https://github.com/orbeckst","followers_url":"https://api.github.com/users/orbeckst/followers","following_url":"https://api.github.com/users/orbeckst/following{/other_user}","gists_url":"https://api.github.com/users/orbeckst/gists{/gist_id}","starred_url":"https://api.github.com/users/orbeckst/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/orbeckst/subscriptions","organizations_url":"https://api.github.com/users/orbeckst/orgs","repos_url":"https://api.github.com/users/orbeckst/repos","events_url":"https://api.github.com/users/orbeckst/events{/privacy}","received_events_url":"https://api.github.com/users/orbeckst/received_events","type":"User","site_admin":false},"created_at":"2018-03-07T23:09:08Z","updated_at":"2018-03-07T23:09:08Z","author_association":"OWNER","body":"See [`h.generate_table`](https://www.mdanalysis.org/docs/documentation_pages/analysis/hbond_analysis.html?highlight=generate_table#MDAnalysis.analysis.hbonds.hbond_analysis.HydrogenBondAnalysis.generate_table), it does not return any output but creates [`h.table`](https://www.mdanalysis.org/docs/documentation_pages/analysis/hbond_analysis.html?highlight=generate_table#MDAnalysis.analysis.hbonds.hbond_analysis.HydrogenBondAnalysis.table)."}}
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