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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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