{"id":32175314,"url":"https://github.com/openmm/openmm-plumed","last_synced_at":"2026-02-20T00:32:25.178Z","repository":{"id":40927183,"uuid":"50611006","full_name":"openmm/openmm-plumed","owner":"openmm","description":"OpenMM plugin to interface with PLUMED","archived":false,"fork":false,"pushed_at":"2026-01-15T16:38:47.000Z","size":5753,"stargazers_count":73,"open_issues_count":17,"forks_count":25,"subscribers_count":10,"default_branch":"master","last_synced_at":"2026-01-15T19:43:59.516Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"C++","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/openmm.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,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2016-01-28T20:21:42.000Z","updated_at":"2026-01-15T16:38:54.000Z","dependencies_parsed_at":"2023-11-08T04:29:02.485Z","dependency_job_id":"c91d391c-73f8-4464-9ef7-22817a766342","html_url":"https://github.com/openmm/openmm-plumed","commit_stats":{"total_commits":66,"total_committers":6,"mean_commits":11.0,"dds":0.6060606060606061,"last_synced_commit":"5406068b5a36b1208f1340180cfc5b8e4ee7aff9"},"previous_names":[],"tags_count":5,"template":false,"template_full_name":null,"purl":"pkg:github/openmm/openmm-plumed","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openmm%2Fopenmm-plumed","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openmm%2Fopenmm-plumed/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openmm%2Fopenmm-plumed/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openmm%2Fopenmm-plumed/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/openmm","download_url":"https://codeload.github.com/openmm/openmm-plumed/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openmm%2Fopenmm-plumed/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":29637412,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-02-19T22:32:43.237Z","status":"ssl_error","status_checked_at":"2026-02-19T22:32:38.330Z","response_time":117,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.6:443 state=error: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"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":[],"created_at":"2025-10-21T19:32:11.429Z","updated_at":"2026-02-20T00:32:25.174Z","avatar_url":"https://github.com/openmm.png","language":"C++","funding_links":[],"categories":[],"sub_categories":[],"readme":"[![GH Actions Status](https://github.com/openmm/openmm-plumed/workflows/CI/badge.svg)](https://github.com/openmm/openmm-plumed/actions?query=branch%3Amaster+workflow%3ACI)\n[![Conda](https://img.shields.io/conda/v/conda-forge/openmm-plumed.svg)](https://anaconda.org/conda-forge/openmm-plumed)\n[![Anaconda Cloud Badge](https://anaconda.org/conda-forge/openmm-plumed/badges/downloads.svg)](https://anaconda.org/conda-forge/openmm-plumed)\n\nOpenMM PLUMED Plugin\n=====================\n\nThis project provides a connection between [OpenMM](http://openmm.org) and [PLUMED](http://www.plumed.org).\nIt allows you to bias or analyze an OpenMM simulation based on collective variables.\n\nThis plugin requires PLUMED version 2.3b or greater. OpenMM 8.1.0 or greater is required to use v2.0 of this plugin. For previous versions of OpenMM you may use v1.0.\n\nInstalling The Plugin\n=====================\n\nWe provide [conda](https://docs.conda.io/) packages for Linux and MacOS via [`conda-forge`](https://conda-forge.org/), which can be installed from the [conda-forge channel](https://anaconda.org/conda-forge/openmm-plumed):\n\n```bash\nconda install -c conda-forge openmm-plumed\n```\n\nIf you don't have `conda` available, we recommend installing [Miniconda for Python 3](https://docs.conda.io/en/latest/miniconda.html) to provide the `conda` package manager.  \n\nBuilding The Plugin\n===================\n\nThis project uses [CMake](http://www.cmake.org) for its build system.  To build it, follow these\nsteps:\n\n1. Create a directory in which to build the plugin.\n\n2. Run the CMake GUI or ccmake, specifying your new directory as the build directory and the top\nlevel directory of this project as the source directory.\n\n3. Press \"Configure\".\n\n4. Set OPENMM_DIR to point to the directory where OpenMM is installed.  This is needed to locate\nthe OpenMM header files and libraries.\n\n5. Set PLUMED_INCLUDE_DIR and PLUMED_LIBRARY_DIR to point to the directories where the PLUMED header\nfiles and libraries are installed.\n\n6. Set CMAKE_INSTALL_PREFIX to the directory where the plugin should be installed.  Usually,\nthis will be the same as OPENMM_DIR, so the plugin will be added to your OpenMM installation.\n\n7. Press \"Configure\" again if necessary, then press \"Generate\".\n\n8. Use the build system you selected to build and install the plugin.  For example, if you\nselected Unix Makefiles, type `make install` to install the plugin, and `make PythonInstall` to\ninstall the Python wrapper.\n\nUsing The Plugin\n================\n\nSimply create a `PlumedForce` object, passing the PLUMED control script as an argument to the\nconstructor, then add it to your `System`.  For example,\n\n```Python\nscript = \"\"\"\nd: DISTANCE ATOMS=1,10\nMETAD ARG=d SIGMA=0.2 HEIGHT=0.3 PACE=500\"\"\"\nsystem.addForce(PlumedForce(script))\n```\n\nBe aware that PLUMED numbers atoms starting from 1, whereas OpenMM numbers them starting from 0.\nThe example above performs metadynamics based on the distance between atoms 0 and 9 (in OpenMM's\nnumbering system).\n\n\nLicense\n=======\n\nThis is part of the OpenMM molecular simulation toolkit originating from\nSimbios, the NIH National Center for Physics-Based Simulation of\nBiological Structures at Stanford, funded under the NIH Roadmap for\nMedical Research, grant U54 GM072970. See https://simtk.org.\n\nPortions copyright (c) 2016-2023 Stanford University and the Authors.\n\nAuthors: Peter Eastman\n\nContributors:\n\nPermission is hereby granted, free of charge, to any person obtaining a\ncopy of this software and associated documentation files (the \"Software\"),\nto deal in the Software without restriction, including without limitation\nthe rights to use, copy, modify, merge, publish, distribute, sublicense,\nand/or sell copies of the Software, and to permit persons to whom the\nSoftware is furnished to do so, subject to the following conditions:\n\nThe above copyright notice and this permission notice shall be included in\nall copies or substantial portions of the Software.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\nIMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\nFITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL\nTHE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM,\nDAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR\nOTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE\nUSE OR OTHER DEALINGS IN THE SOFTWARE.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fopenmm%2Fopenmm-plumed","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fopenmm%2Fopenmm-plumed","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fopenmm%2Fopenmm-plumed/lists"}