Dear Stephan,
> I want to perform a simulation of a protein containing a succinimide
> residue. Does anyone know where to get parameters for succinimide or how to
> avoid the problem of unknown parameters in the protein chain?
You might look at the F-85 project in R.E.DD.B.
http://q4md-forcefieldtools.org/REDDB/projects/F-85/
This might give you some ideas. I guess you have to define
intra-molecular charge constraint(s) during the fitting step...
regards, Francois
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Received on Mon Oct 18 2010 - 07:00:02 PDT
