The folder contains the basic files to reproduce the MD simulation of the shootig simulations of H2O2 and OH.
16 files in this archive
- 02_Shooting/00_file_overview.txt
- 02_Shooting/h2o2/
- 02_Shooting/h2o2/data.shoot
- 02_Shooting/h2o2/data.surface2
- 02_Shooting/h2o2/diffusion_depth.txt
- 02_Shooting/h2o2/figure07_100_h2o2_spec_analysis.txt
- 02_Shooting/h2o2/h2o2.mol
- 02_Shooting/h2o2/in.shoot
- 02_Shooting/h2o2/protein2013.ff
- 02_Shooting/oh/
- 02_Shooting/oh/data.shoot
- 02_Shooting/oh/data.surface2
- 02_Shooting/oh/diffusion_depth.txt
- 02_Shooting/oh/in.shoot
- 02_Shooting/oh/oh.mol
- 02_Shooting/oh/protein2013.ff