Provides 100 ns trajectories of protein-protein complexes in water
The project contains GROMACS trajectories of protein-protein complexes in explicit water. The trajectories are compressed XTC files.
Trajectory details:
1) 10 x 10ns GROMACS trajectories sampled every 10ps
2) equilibrated 200ps under NVT then 1ns under NPT, production runs under NPT ensemble
3) OPLSAA parameters
4) SPC water
Protein-protein complex details:
1) Barnase-Barstar
2) Immunoglobulin-Antigen
3) Trypsin-Trypsin Inhibitor
4) TEM-BLIP
Information about how to download the trajectories is in the wiki.
Downloads
Downloads are available by visiting the wiki page, under usage instructions.
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