La description :search this site home news people downloads documentation forum older versions made with contributions funding home is an open source library for free energy calculations in molecular systems which wo...
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Ce rapport est mis à jour en 10-Jun-2018
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search this site home news people downloads documentation forum older versions made with contributions funding home 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. is free software! to get the download it here or from github . recent news tutorial and user meeting on may 22-27, 2017 we are organizing a 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 . posted feb 20, 2017, 12:14 am by giovanni bussi 2.3 and 2.2.4 released two new 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 webpage. they are also tagged on github (v2.2.4 and v2.3. 0 ). posted jan 16, 2017, 5:18 am by carlo camilloni showing posts 1 - 2 of 24 . view more » twitter timeline sign in | recent site activity | report abuse | print page | powered by google sites
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