Difference between revisions of "PLUMED"
From HPC users
Jump to navigationJump to search
(Created page with "== 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 en...") |
|||
| Line 10: | Line 10: | ||
== Documentation == | == Documentation == | ||
You can find manuals for PLUMED [http://www.plumed.org/documentation here]. | |||
Revision as of 09:26, 24 May 2017
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.
Installed version
The currently installed version of PLUMED is 2.2.3.
Using PLUMED on the HPC cluster
Documentation
You can find manuals for PLUMED here.
