QM/MM modelling of biomolecular systems with ChemShell
Tuesday 21 October 2014, STFC Daresbury Laboratory
http://www.ccpbiosim.ac.uk/workshops/chemshell2014
CCPBioSim are holding a training day on combined quantum
mechanical/molecular mechanical (QM/MM) modelling of biomolecular
systems at Daresbury Laboratory's Hartree Centre. This is a repeat
of the workshop held in November 2013.
The workshop will introduce the basics of QM/MM modelling using the
ChemShell software package (www.chemshell.org) and describe how to set
up, run and analyse QM/MM calculations on biomolecular systems. The
training will combine lectures with a hands-on practical session.
Registration is free of charge. For more details, see the workshop
website.
Tom Keal, Richard Lonsdale and Adrian Mulholland
Workshop organisers
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