- MDP_files
- Atomistic MD simulation (ATMD) parameters for EM, EQ, PROD - CHARMM36(m) ff
- Coarse-gr MD simulation (CGMD) parameters for EM, EQ, PROD - MARTINI 2.2 ff
- Analysis
do-order-multi_feb2023.py
- script to calc lipid order param for Martini 2 lipidscount_num_of_lip-sol_in_gro_file.sh
- script to quickly calc and print num of lipids and solvent molecules in a GRO file.pylipid_residence_time_analysis_r1-3
- directory containing a zip file with scripts and empty dirs ready for residence time analysis.
- dssp
- contains a dssp executable and a deb file.
-
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