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PLUMED Tutorial and User Meeting

posted Feb 20, 2017, 12:14 AM by Giovanni Bussi

On May 22-27, 2017 we are organizing a PLUMED meeting at the Scuola Internazionale di Studi Avanzati (SISSA), Trieste, Italy. The format will be similar to the meeting held in Belfast, UK, in 2014, that is three days of introductory tutorial followed by a three day user meeting. The tutorial will start on Monday 22 in the morning and end on the afternoon of Wednesday 24. The user meeting will start on the morning of Thursday 25 and end at lunchtime on Saturday 27. More information can be found at this website.

Plumed 2.3 and 2.2.4 released

posted Jan 16, 2017, 5:18 AM by Carlo Camilloni

Two new PLUMED releases are available

Release 2.2.4 is a maintenance release on the 2.2.x branch with a few bug fixes, see http://goo.gl/2GFaco for a list of changes.

Release 2.3.0 is a release that contains several new features, see: http://goo.gl/iJl9BG for a list of changes. This version can now be considered as fully stable.

We will still fix bugs in branch 2.2.x for a while, but users are encouraged to upgrade to the new 2.3.x release. Just read carefully the change log before upgrading, paying attention to the changes that lead to incompatible behavior.

You can find both releases in the download section of the plumed webpage. They are also tagged on github (v2.2.4 and v2.3.0).

PLUMED 2.3b and 2.2.3 released!

posted Jun 30, 2016, 7:36 AM by Carlo Camilloni

We are pleased to announce two new PLUMED releases.

Release 2.2.3 a maintenance release on the 2.2.x branch and solves a few bugs. See: http://goo.gl/2GFaco

Release 2.3b is a brand new release that contains a number of new features. Notice that some of the changes required us to modify the syntax of some command. See: http://goo.gl/iJl9BG  This release is still in beta, but 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 (v2.2.3 and v2.3b).

For those of you using the master branch on git: you might want to switch to the v2.3 branch, since we will start soon to add possibly unstable features on the master branch.

New release: PLUMED 2.2.2

posted Apr 13, 2016, 7:58 AM by Carlo Camilloni

PLUMED version 2.2.2 is now available for download. It is a maintenance release on the 2.2.x branch that fixes a few bugs and adds some optimization to the code, see: http://goo.gl/2GFaco 

You can find the new version in the download section of the plumed webpage. It is also tagged on github (v2.2.2).

New releases: PLUMED 2.1.5 and 2.2.1

posted Jan 18, 2016, 1:14 AM by Carlo Camilloni

We are pleased to announce two new PLUMED releases.

Release 2.1.5 is the last maintenance release on the 2.1.x branch with a few fixes, see: http://goo.gl/22zpFI.

Release 2.2.1 is a maintenance release on the 2.2.x branch that contains a few fixes and a new enhanced sampling method, see: http://goo.gl/2GFacoThis should be considered the stable plumed version.

Notice that branch 2.1.x will not be maintained anymore, so users are encouraged to upgrade to the new 2.2.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 (v2.1.5 and v2.2.1).

Plumed 2.2 and 2.1.4 now officially released!

posted Oct 13, 2015, 2:23 AM by Carlo Camilloni

It is a pleasure to announce two new PLUMED releases.

Release 2.1.4 is a maintenance release on the 2.1.x branch with a few fixes, including important ones in NAMD patches (requires re-patching) and in HISTOGRAM keyword, see: http://goo.gl/22zpFI.

Release 2.2.0 is a release that contains several new features, including a partial openMP parallelization and several new collective variables and methods, see: http://goo.gl/2GFaco. This version can now be considered as fully stable.

We will still fix bugs in branch 2.1.x for a while, but users are encouraged to upgrade to the new 2.2.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 (v2.1.4 and v2.2.0).

Plumed 2.1.3 and 2.2 beta

posted Jun 30, 2015, 4:15 AM by Carlo Camilloni

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!

Plumed 2.1.2 is now available

posted Mar 16, 2015, 1:22 AM by Carlo Camilloni   [ updated Mar 16, 2015, 1:22 AM ]


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).

Plumed 2.1.1 and 2.0.5 are available for download

posted Dec 15, 2014, 4:13 AM by Carlo Camilloni   [ updated Dec 15, 2014, 4:14 AM ]

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).

PLUMED 2.1 and 2.0.4 are available for download

posted Sep 15, 2014, 11:57 PM by Carlo Camilloni   [ updated Sep 15, 2014, 11:57 PM ]

it is a pleasure to announce two new PLUMED releases.

Release 2.0.4 is a maintenance release on the 2.0.x branch with a few fixes, see: http://goo.gl/2Hyv7c.

If you are using the keyword BIASVALUE with replica exchange you should upgrade to version 2.0.4 as soon as possible.

Release 2.1.0 is a release that contains several new features, including a full tutorial, a reorganized manual with experimental PDF version, and several new collective variables, see: http://goo.gl/22zpFI. This version can now be considered as fully stable.

We will still fix bugs in branch 2.0.x for a while, but 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 (v2.0.4 and v2.1.0).

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