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Next: MDTEP Analysis Program Up: Molecular Dynamics In CASTEP Previous: Constrained Pentane Molecule

Trajectory Analysis

Although it is expected that most users of CASTEP will wish to import MD data into their own analysis codes, a simple such code, tentatively named MDTEP, is available below. MDTEP is by no means a comprehensive analysis program, but users of CASTEP are welcome to use it as a base for more complex codes.

Users of the Accelrys Materials studio package will of course have access to the included visualisation/analysis tools.


David Quigley 2005-05-10