PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular  focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.

PLUMED is free software! To get the it click here

May 2014: the second PLUMED tutorial and user meeting was held in Belfast.

October 2013: we have released PLUMED2!


Recent News

  • Plumed 2.1.3 and 2.2 beta
    it is a pleasure to announce two new PLUMED releases and a new user questionnaire. 

    Release 2.1.3 is a maintenance release on the 2.1.x branch and solves a few bugs, including several bugs related to virial (useful for NPT simulations), FIT_TO_TEMPLATE, ENSEMBLE, and RANDOM_EXCHANGES keywords. See: http://goo.gl/22zpFI

    We encourage all the users to upgrade to this version.

    Release 2.2b is a brand new release that contains several new features. See http://goo.gl/2GFaco

    We invite users to try it and provide feedbacks.

    You can find both releases in the download section of the plumed webpage. They are also tagged on git (v2.1.3 and v2.2b).

    For those of you using the master branch on git: you might want to switch to the v2.2 branch, since we will start soon to add possibly unstable features on the master branch.

    Finally, we would like to hear your opinion on the work we are doing on PLUMED. Those of you who filled our user questionnaire last year might recognize that many of the changes in PLUMED were influenced by your answers. We thus decided to prepare a new questionnaire that you can fill here: http://goo.gl/forms/UNm5fXN6ax . This should take no more than 5 minutes. Please help us in making PLUMED a better tool!
    Posted Jun 30, 2015, 4:15 AM by Carlo Camilloni
  • Plumed 2.1.2 is now available

    it is a pleasure to announce a new PLUMED release.

    Release 2.1.2 is a maintenance release on the 2.1.x branch that contains several fixes, including a fix for a bug in DRSMD, the support for multiple replica simulations in Amber 14 (sander module) and fixes for lammps, gromacs 5.0 and amber patches, for the complete list of changes, see: http://goo.gl/22zpFI. This should be considered the stable plumed version.

    You can find the new release in the download section of the plumed webpage. It is also tagged on github (v2.1.2).
    Posted Mar 16, 2015, 1:22 AM by Carlo Camilloni
  • Plumed 2.1.1 and 2.0.5 are available for download
    it is a pleasure to announce two new PLUMED releases.

    Release 2.0.5 is the last maintenance release on the 2.0.x branch with a few fixes, see: http://goo.gl/2Hyv7c.

    Release 2.1.1 is a maintenance release on the 2.1.x branch that contains several fixes, including a new patch for Amber 14 (sander module), fixes for gromacs 5.0 patch, and several other fixes, see: http://goo.gl/22zpFI. This should be considered the stable plumed version.

    Notice that branch 2.0.x will not be maintained anymore, so users are encouraged to upgrade to the new 2.1.x release. Just read carefully the change log before upgrading.

    You can find both releases in the download section of the plumed webpage. They are also tagged on github (v2.0.5 and v2.1.1).
    Posted Dec 15, 2014, 4:14 AM by Carlo Camilloni
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