SUPPLEMENTARY (For MD) An integrative pan-genome and subtractive proteomics approach for the identification of potential novel therapeutic drug target against antibiotic resistant honeybee pathogen Paenibacillus larvae

Parameters
Force field: AMBER ff19SB
Water type: TIP3P
Ions: NaCl  
Ligand topology force field: GAFF2
Temperature: 298k
Pressure: 1 bar
minimization step:  20000 on  5 nanoseconds
initial velocity is changed by changing "ntx" and "ig"
C2: ntx = 5 , ig = 8
C3: ntx = 2 , ig = 5

Uploads- 
1. Zip file of all 3 main files
2. Unzip file of C1 (Trajectory, PDB complex after each 10 ns run, and Mp4 video of Complex)
3. Zip file of C1
4. Unzip file of C2 (Trajectory, PDB complex after each 10 ns run, and Mp4 video of Complex)
5. Zip file of C2
6. Unzip file of C3 (Trajectory, PDB complex after each 10 ns run, and Mp4 video of Complex)
7. Zip file of C3
8. Zip and unzip file of Initial PDB of complex prior to MD simulation with Post MD PDB (C1, C2, C3)
9. Zip file of topology files for C1, C2, and C3