{"action":"closed","issue":{"url":"https://api.github.com/repos/MobleyLab/alchemical-analysis/issues/86","repository_url":"https://api.github.com/repos/MobleyLab/alchemical-analysis","labels_url":"https://api.github.com/repos/MobleyLab/alchemical-analysis/issues/86/labels{/name}","comments_url":"https://api.github.com/repos/MobleyLab/alchemical-analysis/issues/86/comments","events_url":"https://api.github.com/repos/MobleyLab/alchemical-analysis/issues/86/events","html_url":"https://github.com/MobleyLab/alchemical-analysis/issues/86","id":145524658,"number":86,"title":"Issue with Sorting input data by starting time (parser_amber.py)","user":{"login":"baribefe","id":17713956,"avatar_url":"https://avatars.githubusercontent.com/u/17713956?v=3","gravatar_id":"","url":"https://api.github.com/users/baribefe","html_url":"https://github.com/baribefe","followers_url":"https://api.github.com/users/baribefe/followers","following_url":"https://api.github.com/users/baribefe/following{/other_user}","gists_url":"https://api.github.com/users/baribefe/gists{/gist_id}","starred_url":"https://api.github.com/users/baribefe/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/baribefe/subscriptions","organizations_url":"https://api.github.com/users/baribefe/orgs","repos_url":"https://api.github.com/users/baribefe/repos","events_url":"https://api.github.com/users/baribefe/events{/privacy}","received_events_url":"https://api.github.com/users/baribefe/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":7,"created_at":"2016-04-03T18:07:20Z","updated_at":"2016-08-26T15:36:39Z","closed_at":"2016-08-26T15:36:39Z","body":"Hello there,\r\n\r\nI am getting this error when I try to use alchemical_analysis.py which is coming from amber MDOUT file  parsing. I had it write out the offending variables ( found, uniq in parser_amber.py)\r\n\r\nCommand line was: ./alchemical-analysis/alchemical_analysis/alchemical_analysis.py -a AMBER -d data -p [01].*/ti00[2-9] -q out -o . -r 5 -u kcal -s 0 -g -w\r\n\r\nLoading in data from data/0.4/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.4/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.7/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.7/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.6/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.6/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.0/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.0/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.9/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.9/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.2/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.2/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.1/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.1/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.5/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.5/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.3/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.3/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.8/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/0.8/ti002.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/1.0/ti003.out...  6000 data points, 6000 DV/DL averages\r\nLoading in data from data/1.0/ti002.out...  6000 data points, 6000 DV/DL averages\r\nSorting input data by starting time\r\nfound:  [200.0, 200.0] 2 uniq:  set([200.0]) 1\r\nERROR: Same starting time occurs multiple times.\r\n\r\nThe header for parser_amber.py says\r\n\r\n\"Relevant namelist variables in MDIN: ntpr, ntave, ifmbar and bar*,\r\ndo NOT set t as the code depends on a correctly set begin time\"\r\n\r\nand it appears the issue stems from the begin time mentioned here. I am not exactly sure what this time it mentions here is.\r\n\r\nAny thoughts appreciated.\r\n\r\nThanks!\r\n\r\nEmmanuel\r\n"}}
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