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Updated: Feb 14, 2026

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molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software

Henrique S Fernandes1, Maria J Ramos1, Nuno M F S A Cerqueira1

  • 1UCIBIO@REQUIMTE, Departamento de Química e Bioquímica, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre s/n, Porto, 4169-007, Portugal.

Journal of Computational Chemistry
|February 22, 2018
PubMed

Keywords:
GaussianONIOMQMQM/MMmolUPvisual molecular dynamics (VMD)

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