Marcus Bannerman (2006-Present): DynamO was originally developed
during Marcus' PhD, under the supervision of Dr Leo Lue and was
funded through a EPSRC doctoral training award. From 2009 till
2011, this work continued during his Post-Doc at the University of
Erlangen-Nuremberg in the research group of Prof. Thorsten
Poeschel. Now Marcus is a lecturer at Aberdeen University and
continues to orientate his research around DynamO and event driven
Leo Lue (2006-Present): Provided a complete event driven code,
histogram reweighting scripts and more which were used as references
while DynamO was developed. Leo provides a great amount of
theoretical/technical support and more recently implemented the MJ
model for protein interactions.
Robert Sargant (2008-2010): Rob started the work on
asymmetric potentials with rotational degrees of freedom. He
implemented the dynamics of lines and the essential root finder of
Frenkel and Maguire among other improvements. He was also funded
by the EPSRC.
Libraries and Source Code Used
A templated vector and matrix class, provided
by Ramses van
Zon, is used as the basis for most vector operations.
XML parsing uses RapidXML.
XML writing uses a small class provided by Obolutus.
Gtkmm, Cairo, FFMPEG
and the boost libraries are
some excellent open source libraries utilised within the code.
The build system used to build DynamO
is boost build.
Bosco ho provided
script from which the RMSD calculations of polymer structures
script is based.
MinMax Heaps are based on an implementation provided
by T. Wease.
A small PNG library is used for saving snapshots and was provided
by Severin Strobl.
A big thank you to Michael R Sweet for
a program which makes it so easy to compare good and bad EDMD
trajectories, its has saved hours of debugging in the scheduler code.
Cédric Laugerotte's website was a great help for determining
Page last modified: Thursday 29th May 2014