About this document
WHAM.jar User Guide for Umbrella Sampling by Reinaldo Oliveira Júnior is a document available to read on EtoBox.
This document provides instructions for using WHAM.jar, a Java application for analyzing histograms generated from molecular simulations. WHAM.jar implements the weighted histogram analysis method to compute the density of states from the histograms. This density of states can then be used to calculate various thermodynamic quantities like free energy, heat capacity, and reaction coordinate expectations as a function of temperature. The document describes downloading WHAM.jar, running it with a configuratio
- Author
- Reinaldo Oliveira Júnior
- Language
- EN