Affiliation:
1. Centre for Molecular Simulation and Department of Biological Sciences, University of Calgary, Calgary, AB T2N 1N4, Canada
Abstract
We investigate six AMBER and CHARMM force fields for molecular dynamics simulations of viral capsids. Out of the force fields studied, we recommend CHARMM36m and CHARMM36 for future use.
Funder
Canadian Institutes of Health Research
Canada Research Chairs
Natural Sciences and Engineering Research Council of Canada
Compute Canada
Canada Foundation for Innovation
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry