Team:EPF-Lausanne/Results/ELS

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Light state simulation


We run a a 62ns simulation on the 2v0w light state using 32 processors. Here is a video.

Validation of the simulation

Here are the values of pressure, temperature and volume for this run.

2v0w sim PVT.jpg

The rmsd along the run gives:

2v0w sim rmsd.jpg



An interesting residue to study in the light state is the residue n° 450, which is the cystein that reacts with the cofactor. Here we plot the dihedral angle of this residue to see how many time the cystein point toward the FMN:


C450 dihedral light.jpg