dataset · Zenodo (CERN European Organization for Nuclear Research)
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
This page summarises published work. The authoritative version sits with the publisher.
DOI: 10.5281/zenodo.10115156
Is something wrong with this record? Report it or request removal.
Discussion
Have you built on this work, tried to replicate it, or seen it applied in practice? Share what you know. Verified researchers and MARATTO™ domain experts can open a discussion, and any member can reply. Contributions are reviewed before they appear.
No discussion yet. Open the first thread.
New to MARATTO™? Create a free account.
