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PLUMED

Table of Contents

Introduction

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.

Restrictions / License Information

GNU LESSER GENERAL PUBLIC LICENSE

                       Version 3, 29 June 2007

 

 Copyright (C) 2007 Free Software Foundation, Inc. <http://fsf.org/>

 Everyone is permitted to copy and distribute verbatim copies

 of this license document, but changing it is not allowed.

Running Instructions

 

For More Information

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