sizeshape collective variable

Overview

This sizeshape module contains method for calculating a 1D linear projection and the Mahalanobis distance in size and shape space for a given reference configurational distribution, as described in [Sasmal-poslda-2023].

Installation

This module is not installed by default. Add '--enable-modules=sizeshape' to your './configure' command when building PLUMED to enable these features.

Usage

Currently, all features of the sizeshape module are included in a single sizeshape collective variable: POSITION_LINEAR_PROJ POSITION_MAHA_DIST

Contents

• CVs Documentation