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This is code for analyzing the gro/xtc file used in GROMACS, a molecular dynamics simulation program. In order to use the code, you will need to modify the code name of the molecule or minor numerical settings yourself. A brief description of the code is as follows, and all codes were written based on the data file of GROMACS 2021.

modi_atoms_alltime_distrb.py: Code that analyzes the number of interactions of molecules by time in the xtc file. x.seed_adsp_code.py: Code to calculate the adsorption rate of a molecule to suface over time in the xtc file pi_pi_interaction_alltime.py: Code that analyzes the number of pi-pi interactions of molecules by time in the xtc file. water_remove_code.py: Code that removes water molecules below a certain height in the gro file xseed_density_mixture_0.5A.py: Code that calculates the density of molecules over time in the xtc file