{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":537701994,"defaultBranch":"main","name":"Dock-MD-FEP","ownerLogin":"quantaosun","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2022-09-17T04:53:51.000Z","ownerAvatar":"https://github.com/avatars/u/75652473?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1712793138.0","currentOid":""},"activityList":{"items":[{"before":"45cfa91af5172acc9196cab74ea7123ccde9de70","after":"17386586766538421fad81e73ecfb9a56f51b4ee","ref":"refs/heads/main","pushedAt":"2024-08-12T06:34:23.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Small bug fixed. Use as before.\n\n!git clone https://github.com/quantaosun/OpenMM-Yank-YAML-template.git source file slightly modified.\r\nMltiple stop condition have been defined, it may be unecessary. It was observed in some simulaiton, the solvent leg would reach the error defined in sampler section at early satge of the simulation and that automatically killed the progress of solvent simulation. Therefore, sampler section error stop conditon turned off for the sake of swapping iterations between complex and solvent normally.\r\n. This will do no harm to the simulation","shortMessageHtmlLink":"Small bug fixed. Use as before."}},{"before":"6ad2349b56f98e9d8b9b1c659caf44163e89e3fd","after":"45cfa91af5172acc9196cab74ea7123ccde9de70","ref":"refs/heads/main","pushedAt":"2024-06-26T11:33:36.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update README.md","shortMessageHtmlLink":"Update README.md"}},{"before":"9331821fa7d29a5c7ee95f53b9d5e67c619f7e14","after":"6ad2349b56f98e9d8b9b1c659caf44163e89e3fd","ref":"refs/heads/main","pushedAt":"2024-04-10T23:57:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"binding pose evaluation method added before FEP","shortMessageHtmlLink":"binding pose evaluation method added before FEP"}},{"before":"4279f2b300f418ac728440e7ba8d66e4057ebfeb","after":"9331821fa7d29a5c7ee95f53b9d5e67c619f7e14","ref":"refs/heads/main","pushedAt":"2024-04-10T23:52:18.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"binding pose stability evalutaion.","shortMessageHtmlLink":"binding pose stability evalutaion."}},{"before":"b2560055b82000c0c503c9054940528eaf358dc1","after":"4279f2b300f418ac728440e7ba8d66e4057ebfeb","ref":"refs/heads/main","pushedAt":"2024-04-10T23:50:18.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Create readme.md","shortMessageHtmlLink":"Create readme.md"}},{"before":"9951cce6a98066590001b93d1062eca9582cb5b2","after":"b2560055b82000c0c503c9054940528eaf358dc1","ref":"refs/heads/main","pushedAt":"2024-04-10T23:38:23.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"If you are not sure about the docked pose","shortMessageHtmlLink":"If you are not sure about the docked pose"}},{"before":"342f49d3a73cc8907c3b0fd261719719fa0fccc2","after":"9951cce6a98066590001b93d1062eca9582cb5b2","ref":"refs/heads/main","pushedAt":"2024-04-05T05:38:59.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update README.md","shortMessageHtmlLink":"Update README.md"}},{"before":null,"after":"758c45375d936282338b74089c5d2008b4ef17a3","ref":"refs/heads/quantaosun-patch-9","pushedAt":"2024-04-04T10:55:43.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment_2024_april.yml","shortMessageHtmlLink":"Update environment_2024_april.yml"}},{"before":"803559a73f52fd8785d1297bf194be945c3d1398","after":"342f49d3a73cc8907c3b0fd261719719fa0fccc2","ref":"refs/heads/main","pushedAt":"2024-04-04T10:55:10.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Add files via upload","shortMessageHtmlLink":"Add files via upload"}},{"before":null,"after":"1c3cb9212f6affa0e89776a2a6e41ad94c63291f","ref":"refs/heads/quantaosun-patch-8","pushedAt":"2024-04-04T08:50:21.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":"f2fb50ab11666d9f37aba8de862af1dc663f3aa1","after":"803559a73f52fd8785d1297bf194be945c3d1398","ref":"refs/heads/main","pushedAt":"2024-04-04T08:39:13.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":"703de3f3e6d9c0d0dff9ca8e2a116f48b37153dc","after":"f2fb50ab11666d9f37aba8de862af1dc663f3aa1","ref":"refs/heads/main","pushedAt":"2023-12-25T08:24:23.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Add files via upload","shortMessageHtmlLink":"Add files via upload"}},{"before":"641fb0dcf41190085929a5b43c40fd737cf5e18e","after":"703de3f3e6d9c0d0dff9ca8e2a116f48b37153dc","ref":"refs/heads/main","pushedAt":"2023-12-25T08:22:15.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Create readme.md","shortMessageHtmlLink":"Create readme.md"}},{"before":"927562350c63ca87656c8b639e3df2c3d95a01c8","after":"641fb0dcf41190085929a5b43c40fd737cf5e18e","ref":"refs/heads/main","pushedAt":"2023-12-25T06:19:38.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update README.md","shortMessageHtmlLink":"Update README.md"}},{"before":"14e4f50be614243ccf39a9ad68b27097261a60c4","after":"927562350c63ca87656c8b639e3df2c3d95a01c8","ref":"refs/heads/main","pushedAt":"2023-12-22T09:44:22.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update README.md","shortMessageHtmlLink":"Update README.md"}},{"before":"f2eeb1135c5f6ba18854112c6229ab9828fc5629","after":"14e4f50be614243ccf39a9ad68b27097261a60c4","ref":"refs/heads/main","pushedAt":"2023-12-22T09:14:57.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":null,"after":"3bf0e41984237c2dd18e0ac925b9e64152ae566e","ref":"refs/heads/quantaosun-patch-7","pushedAt":"2023-12-22T09:06:57.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":"17a52b5bdb5aff80a55ab2956497323c2b794ba3","after":"f2eeb1135c5f6ba18854112c6229ab9828fc5629","ref":"refs/heads/main","pushedAt":"2023-12-22T06:05:53.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":"b765967671dfcaa6cc020fbb95b257ad151af0c4","after":"17a52b5bdb5aff80a55ab2956497323c2b794ba3","ref":"refs/heads/main","pushedAt":"2023-12-22T05:54:13.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":"888d4c7573ae0bea46bb937b680395701d92d58f","after":"b765967671dfcaa6cc020fbb95b257ad151af0c4","ref":"refs/heads/main","pushedAt":"2023-12-22T05:43:11.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":null,"after":"ed85e56673cacd8a5e66f5c70cf9c08e03de5a61","ref":"refs/heads/quantaosun-patch-6","pushedAt":"2023-12-22T05:41:51.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update environment.yml","shortMessageHtmlLink":"Update environment.yml"}},{"before":"9853c9da43e43239b288a7e06b46f869a82cc34f","after":"888d4c7573ae0bea46bb937b680395701d92d58f","ref":"refs/heads/main","pushedAt":"2023-12-22T05:33:29.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Add files via upload","shortMessageHtmlLink":"Add files via upload"}},{"before":"07949aef8127c05fe4caefea807c4c163b1787e6","after":"9853c9da43e43239b288a7e06b46f869a82cc34f","ref":"refs/heads/main","pushedAt":"2023-12-22T05:32:54.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Delete environment.yml","shortMessageHtmlLink":"Delete environment.yml"}},{"before":null,"after":"8a77b010fbb49e4dc719bf7fde34acd8688b28ee","ref":"refs/heads/quantaosun-patch-5","pushedAt":"2023-12-22T05:32:30.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Delete environment.yml","shortMessageHtmlLink":"Delete environment.yml"}},{"before":null,"after":"a979b3d315358bf3801226ce4bcb5d7b0e21e819","ref":"refs/heads/quantaosun-patch-4","pushedAt":"2023-12-22T05:32:06.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Delete environment.yml","shortMessageHtmlLink":"Delete environment.yml"}},{"before":null,"after":"dbb9f40c71b329550fd568b583dabb15a9b0124c","ref":"refs/heads/quantaosun-patch-3","pushedAt":"2023-10-11T05:32:25.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update README.md","shortMessageHtmlLink":"Update README.md"}},{"before":"ad5da8f60b5b33ff2f17c291db3b0fca9877a6a3","after":"07949aef8127c05fe4caefea807c4c163b1787e6","ref":"refs/heads/main","pushedAt":"2023-10-11T05:28:39.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Add files via upload","shortMessageHtmlLink":"Add files via upload"}},{"before":null,"after":"8829ed75cccf7eb25c9820e3c0c7ae92b59cafc1","ref":"refs/heads/quantaosun-patch-2","pushedAt":"2023-05-14T01:53:09.587Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Update README.md","shortMessageHtmlLink":"Update README.md"}},{"before":"5e017bd3407b7f6cdfea54ef7936c91d3e971220","after":"ad5da8f60b5b33ff2f17c291db3b0fca9877a6a3","ref":"refs/heads/main","pushedAt":"2023-05-13T22:58:08.085Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Add files via upload","shortMessageHtmlLink":"Add files via upload"}},{"before":"37027ee21a1548499cad51032bcceba4fbd6bbbe","after":"5e017bd3407b7f6cdfea54ef7936c91d3e971220","ref":"refs/heads/main","pushedAt":"2023-04-11T07:16:37.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"quantaosun","name":"Sun","path":"/quantaosun","primaryAvatarUrl":"https://github.com/avatars/u/75652473?s=80&v=4"},"commit":{"message":"Add files via upload","shortMessageHtmlLink":"Add files via upload"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEl8eKOwA","startCursor":null,"endCursor":null}},"title":"Activity ยท quantaosun/Dock-MD-FEP"}