[gmx-users] Generating parameters for novel amino acids

[Dr Seth Carlton OLSEN]

Dear Gromacs Users,

I was wondering if anyone of you knew of a good place to look for reviews of the pro's/cons and suggested good ways of determining force field an unnatural or chemically modified amino acid from ab initio data (for example, given the equilibrium geometry and second derivative matrix).  Is there any literature that gives a good overview of this topic?  

Cheers,

Seth


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Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 

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