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.

In May 2014 the second PLUMED tutorial and user meeting was held in Belfast, sponsored by CECAM. The material of the tutorial is included in PLUMED2 v.2.1!

In October 2013 we have released a completely redesigned version of the code: PLUMED2!

In June 2012 the first PLUMED meeting was held in Trieste, sponsored by SISSA!

In October 2010 the first PLUMED tutorial was held in Lausanne, sponsored by CECAM, and the project is still growing!

PLUMED is free software! To get the it click here


Recent News

  • New releases: 2.0.3 and 2.1b
    Release 2.0.3 is a maintenance release on the 2.0.x branch and solves a few bugs, see: http://goo.gl/2Hyv7c

    We encourage all the users to upgrade to this version.

    Release 2.1b is a brand new release that contains several new features, including a full tutorial, see: http://goo.gl/22zpFI

    We invite users to try it and provide feedbacks. Among other things, we would like to have feedbacks on the new autoconf procedure (./configure script) so as to be sure that it is portable on a large number of different systems.

    You can find both releases in the download section of the plumed webpage. They are also tagged on git (v2.0.3 and v2.1b).

    For those of you using the master branch on git: you might want to switch to the v2.1 branch, since we will start soon to add possibly unstable features on the master branch.
    Posted Jul 1, 2014, 11:53 PM by Carlo Camilloni
  • PLUMED 2.0.2
    PLUMED version 2.0.2 is now available for download. Most important fixes from 2.0.1:
    • Fixed bug with METAD with INTERVAL and replica exchange, including bias exchange. Now the bias is correctly computed outside the boundaries. Notice that this is different from what was done in PLUMED 1.3. Also notice that INTERVAL now works correctly with grids and splines.
    • Fixed bug with READ and periodic variables.
    • Fixed bug with HISTOGRAM (option USE_ALL_DATA was not working properly).
    Moreover, there is a new patch for gromacs 4.6.5 that allows for a better load balancing when using GPUs.

    Especially because of the first fix, everyone using PLUMED 2.0 with bias exchange and INTERVAL is invited to upgrade.
    Posted Feb 11, 2014, 1:46 AM by Carlo Camilloni
  • Tutorial and user meeting for PLUMED
    Dear plumed users

    We are pleased to inform you that we are holding a tutorial and user meeting for PLUMED from the 28th May to the 2nd June of this year in Belfast, Northern Ireland.

    The first three days of this meeting will be used to train participants on how to use PLUMED 2.0 to analyse and enhance molecular dynamics simulations using state of the art techniques such as umbrella sampling, steered molecular dynamics, metadynamics and replica exchange.  There will be a relatively small number of lectures as participants will spend the majority of their time doing hands on calculations using PLUMED 2.0. Practical examples will be taken both from the field of biomolecular modelling and from that of materials science, so application from students working in both fields are encouraged.

    During the final 3 days of the meeting we will have a user group meeting during which there will be opportunities for more experienced users to come and present the work that they have been doing using PLUMED as well as talks from a number of invited speakers.  On top of this there will be three open discussion forums during which all participants can discuss how the code should evolve in the future and what our priorities as a field should be in moving forward.  Students interested in biomolecular modelling are also encouraged to apply to the tutorial on CHARMM (http://www.cecam.org/workshop-1043.html) in Dublin that is happening the week after ours in Dublin.  The material covered during this meeting compliments the material that will be covered during our tutorial.

    Applications can be made to attend either the whole PLUMED meeting (tutorial + user group meeting, but NOT the CHARMM tutorial) or to attend just the user group meeting.  These applications should be submitted through the website:

    http://www.cecam.org/workshop-1026.html

    Accommodation will be available for those participants attending both the tutorial and user group meetings at a cost of at most £200. We are hoping to be able to make a significant contribution towards the accommodation costs of participants so the final price that you will have to pay may well be considerably less than this sum.  However, at present our funding situation is uncertain so we cannot guarantee anything.  Those participating in only the user group meeting will have to make their own accommodation arrangements.

    Applications should be submitted before March 15th.  We will let you know whether or not you have been successful by April 1st.

    The plumed developers
    Posted Jan 31, 2014, 4:35 AM by Carlo Camilloni
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