Etidocaine binding to POPC membrane, CHARMM36-ParamChem, 34 mM, 298 K

System info in README.yaml, including basic analysis - headgroup OP,  averaged APL and repead distance, analysis performed only from eqilibrated part of the simulation, marked as "BINDINGEQ",

here:

FILES:
  xtc:
    NAME: [name]
    SIZE: [MB]
    MODIFIED: [yyyy-mm-dd time]
    LENGTH: [ps]
    SAVING_FREQUENCY: [ps]
    BEGIN: [ps] - how much of the simulation was simulated before and is excluded

FILES:
  tpr:
    GMX_VERSION:  gromacs version used for "gmx grompp" creation of *.tpr file at local computer

  log:
    GMX_VERSION:  gromacs version used for "gmx mdrun" at cluster and read out from *.log file