Tutorial 11. Analyzing MC and MD trajectories
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T11. Analyzing MC and MD trajectories
PURPOSE: In this tutorial, it is described how to employ service programs Geomet, Analys, Distrib, Correl, Redene, Datgro, Naverag and Debye programs to analyze MC and MD trajectories.
REFERENCE to main manual: Section 8 (service programs).
FILES: You can find all the files you need to run this tutorial here: b3mdc.dat and py1mdc.dat. The starting .dat trajectory files have been produced in Tutorials T9 and T10 for liquid benzene (T9) and pyridone (T10). You will also need macros to run Geomet, Analys, Distrib, Correl, Redene, Datgro, Naverag and Debye. Place .dat files and pertinent (Windows/Unix) macros into your working directory.