[gmx-users] ELNEDIN disulfide bridge

Lea Thøgersen lea at birc.au.dk
Mon May 10 16:03:50 CEST 2010

I am trying to set up an ELNEDIN simulation of a protein which contain  
a disulfide bridge. As all the bonded interactions are changed  
compared to the MARTINI force field, I do not know how the parameters  
should be set for this bond, as it would seem unreasonable simply to  
use the MARTINI values.

Has anyone reparameterised the disulfide bond for the ELNEDIN model,  
or have an idea of how I should proceed?


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