COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations

Oliver Weingart (1) , Artur Nenov (2) , Piero Altoè (2) , Ivan Rivalta (3) , Javier Segarra-Martí (3) , Irina Dokukina , Marco Garavelli (2)

1 Heinrich Heine Universität Düsseldorf = Heinrich Heine University [Düsseldorf]
2 Dipartimento di Chimica "G. Ciamician"
3 LC - Laboratoire de Chimie - UMR5182

Domaines: Chimie théorique et/ou physique

Oliver Weingart, Artur Nenov, Piero Altoè, Ivan Rivalta, Javier Segarra-Martí, et al.. COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations. Journal of Molecular Modeling, 2018, 24 (9), pp.271. ⟨10.1007/s00894-018-3769-6⟩. ⟨hal-01889522⟩