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ORAC Manual and Guide
Piero Procacci and Massimo Marchi
A Molecular Dynamics Program to Simulate Complex
Molecular Systems at the atomistic level
Dipartimento di Chimica, Polo Scientifico dell'Universitá di Firenze
Via della Lastruccia 3, Sesto Fiorentino I-50019 (Italy)
January 20, 2012
Send comments and bug reports to procacci@chim.unifi.it
Piero Procacci and Massimo Marchi are the main
contributors and the license holders. Other contributors are Simone
Marsili who implemented the Replica Exchange Method and the
Metadynamics in the parallel
version and Marc
Souaille who wrote the linked cell neighbor listing routines.
This manual is for ORAC version 5.1