[gmx-users] essential dynamics

[Euston, Stephen R]

Hi,

 

I am hoping to use essential dynamics to look at unfolding of proteins
(probably barley lipid transfer protein and bovine beta-lactoglobulin).
I have searched the Gromacs database, and the web but I can find very
little info on the actual process of running the simulation. I have also
looked at the WHAT IF home page, and again I can't seem to find much
here either. Does anyone know of a web tutorial or other that covers
essential dynamics simulations?

 

Thanks

 

Steve Euston

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