Analysis of 1CPN Simulations

Sorry! This part of the documentation is still under construction.

Take a look in the the src/analysis directory to see some sample analysis scripts. If you know a bit of C++ you should be able to copy one of these .cpp files and modify it to perform your analysis of interest.

You’ll also want to checkout src/include/trajectory_iterator.h. This is a library we’ve put together that makes parsing of LAMMPS files a bit easier. Almost all of the analysis files in src/analysis/ include trajectory_iterator.h and show the basic commands on how to use it.