ADL: Solvation Parameters

Paul J Shrimpton p.shrimpton at imperial.ac.uk
Thu Sep 9 02:01:17 PDT 2004


Hi,

I want to include non-protein residues in my receptor, I realise they 
 should be included with polar hydrogens only and appropiate united atom 
charges but my question is do I need to add solvation parameters for the 
atoms in my extra residues?? If so how is the best way to obtain the 
values I will need as addsol or the add solvation params in adt only 
recognise "standard" protein residues??

Thanks in advance,

Paul



-- 
Paul Shrimpton

Structural Bioinformatics Group
Biochemistry Building
Department of Biological Sciences
Imperial College
London SW7 2AY, U.K.

Tel: +44 (0)20 7594 5762 

e-mail: p.shrimpton at imperial.ac.uk





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