GitHub - ZacAmato/MD_Simulations_Analysis: Scripts to analyse outcomes of MD simulations of annealing porous ASW.

Name		Name	Last commit message	Last commit date
Latest commit History 32 Commits
Batch_convert_gro_to_xyz.py		Batch_convert_gro_to_xyz.py
Batch_fit_msd.py		Batch_fit_msd.py
Batch_gmx_dens.sh		Batch_gmx_dens.sh
Batch_gmx_msd.sh		Batch_gmx_msd.sh
Batch_gmx_rdf.sh		Batch_gmx_rdf.sh
Calc_surf_occ_molnum.py		Calc_surf_occ_molnum.py
Calculate_sphere-accessible_surface_area.sh		Calculate_sphere-accessible_surface_area.sh
Extract_heights.awk		Extract_heights.awk
Extract_heights.sh		Extract_heights.sh
Integrating_zdens.py		Integrating_zdens.py
Plot_RDF.py		Plot_RDF.py
Plot_coord_num_hist.py		Plot_coord_num_hist.py
Plot_surf_occ_vs_zdens.py		Plot_surf_occ_vs_zdens.py
box.awk		box.awk
mirror.awk		mirror.awk
multicell.awk		multicell.awk