Skip to content
Snippets Groups Projects
Commit 49452aa3 authored by Giovanni Bussi's avatar Giovanni Bussi
Browse files

Included logmfd module documentation

provided by @tetsuyamorishita

Closes #422
parent ed8d4ad1
No related branches found
No related tags found
No related merge requests found
\page LOGMFDMOD xxxxxxxx
\page LOGMFDMOD Logarithmic Mean Force Dynamics
<!--
description: xxxxxxxxx
authors: xxxxxxxxx
reference: xxxxxxxxxx
description: Method for enhanced sampling and for free energy calculations along collective variables
authors: Tetsuya Morishita, Naoki Watanabe
reference: \cite MorishitaLogMFD \cite MorishitaLogPD \cite MorishitaVsLogMFD
-->
## Overview
xxxxxxxxx
The LOGMFD module contains the LogMFD/LogPD method for enhanced sampling in a CV space and for on-the-fly free energy reconstruction along the CVs. This module implements the multiple-replica algorithm (LogPD \cite MorishitaLogPD) as well as the single-replica algorithm (LogMFD \cite MorishitaLogMFD), the former invoking the Crooks-Jarzynski nonequilibrium work relation. In addition, TAMD/d-AFED \cite AbramsJ2008 can also be implemented by this module.
## Installation
This module is not installed by default. Add '\-\-enable-modules=logmfd' to your './configure' command when building PLUMED to enable these features.
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment