The adaptive buffered force QM/MM method in the CP2K and AMBER software packages. (2015)

First Author: Mones L

Attributed to: Adaptive QM/MM simulations funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1002/jcc.23839

PubMed Identifier: 25649827

Publication URI: http://europepmc.org/abstract/MED/25649827

Type: Journal Article/Review

Volume: 36

Parent Publication: Journal of computational chemistry

Issue: 9

ISSN: 0192-8651