{"id":15048583,"url":"https://github.com/liyigerry/gmx","last_synced_at":"2025-04-10T01:24:17.105Z","repository":{"id":129748493,"uuid":"41304303","full_name":"liyigerry/gmx","owner":"liyigerry","description":"molecular dynamics simulation and analysis. 分子动力学模拟和分析。","archived":false,"fork":false,"pushed_at":"2019-10-03T05:05:00.000Z","size":29996,"stargazers_count":38,"open_issues_count":0,"forks_count":9,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-03-24T03:11:20.561Z","etag":null,"topics":["gromacs","md","plumed","pymol"],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/liyigerry.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2015-08-24T13:22:08.000Z","updated_at":"2025-02-04T06:16:13.000Z","dependencies_parsed_at":"2023-04-03T16:18:25.860Z","dependency_job_id":null,"html_url":"https://github.com/liyigerry/gmx","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/liyigerry%2Fgmx","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/liyigerry%2Fgmx/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/liyigerry%2Fgmx/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/liyigerry%2Fgmx/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/liyigerry","download_url":"https://codeload.github.com/liyigerry/gmx/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248138858,"owners_count":21053969,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["gromacs","md","plumed","pymol"],"created_at":"2024-09-24T21:14:12.992Z","updated_at":"2025-04-10T01:24:17.093Z","avatar_url":"https://github.com/liyigerry.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# Gromacs模拟协议、轨迹分析、测试分析\n\n## Gromacs相关\n1. 安装笔记[gmx_install.sh](./gmx_install.sh)\n2. 模拟脚本[gmx_mpi.sh](./gmx_mpi.sh)\n3. 模拟设置mdp文件[gmx_mdp_files](./gmx_mdp_files)\n4. 轨迹分析[trajectory_analysis_by_Gromacs](./trajectory_analysis_by_Gromacs.md)\n\n## 笔记\n1. [李毅笔记](./notes/李毅笔记.md)\n2. [梁晶步骤](./notes/梁晶步骤.txt)\n3. [杜星笔记](./notes/杜星笔记)\n3. [元动力学](./notes/metadynamics.md)\n\n## 小技巧\n1. linux相关[linux.md](./tips/linux.md)\n2. gnuplot绘图技巧[gnuplot.md](./tips/gnuplot.md)\n3. openmm安装[openmm.md](./tips/openmm.md)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fliyigerry%2Fgmx","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fliyigerry%2Fgmx","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fliyigerry%2Fgmx/lists"}