2016_Khan_etal_BPJ

Files are seperated based on MD simulations and continuum electrostatics calculations. All the input/analysis files are present in corresponding directories/sub-directories. If you have trouble navigating, please send email to [e-mail].

### Some raw trajectories are not removed as I have to repeatedly use them for others.

# For the simulations and/or calculations please go to the "simulations_analyses/" directory, which is divided into two groups: "MD_simulations/" and "continuum_electrostatics/". All the subfolder has long names to distinguish the content of the folder (i.e. pi_plc_dmpg_100_1st_run/). All the necessary scripts are also present in the scr directory or other subdirectories. If you have trouble finding any file, please send email to [e-mail].

# For the manuscript files, please go to the "Manuscript_files_figures_raw_data/" directory. If you unzip the "Files_for_archive_Orinoco_BPJ_2016" folder and enter, you will get all the plots and raw data in the "Redo_data_and_plots_23_04_2015". This should be the final version. If you want to track the source of the raw data, please go to the "simulations_analyses/" directory. The folders for figures are named according to the content of the figure rather than Figure_1/Figure_2, as they change their places often in a manuscript. This was for my easiness of keeping track.

As for the manuscript files, the first version is in the "BtPIPLC_for_BPJ". The "BPJ_reply_for_appeal" directory should have all the later submission files.

Please do not hesitate to send an email in case of any questions. If you see any error please do let me know.