acealanme1.3: Hills data from AceAlaNme metadynamics in water

In sucurz/testing: Metadynminer reads, analyses and visualizes metadynamics HILLS files from Plumed.

Description

Hills data from AceAlaNme metadynamics in water in the space of Ramachandran angles computed by Plumed 1.3.

Usage

acealanme1.3

Format

The object of class hillsfile with 7,000 hills sampled every 0.5 ps with widths 0.3 rad and height 0.5 kJ/mol

Author(s)

Vojtech Spiwok

Source

cmputed by Plumed 1.3

Examples

## Not run: 
data(acealanme1.3)
summary(acealanme1.3)
plot(acealanme1.3)

## End(Not run)

sucurz/testing documentation built on May 29, 2019, 9:51 a.m.