zkdumpreader reads lammps dump file to check if bound molecules are sepeareted
Project description
zkdumpreader reads lammps dump file to check if bound molecules are sepeareted and write how many molecules left bound in each timestep into a csv file. Also reports which molecules are apart from their binding sites at which timestep in how many units of sigma to a report.txt file zkdumpreader has only one method named dumpread.
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