Dear Marc,
> I was thinking of taking charges from GLH in amino12.in, and
> adjusting the charges in line with the changes between GLU in amino12.inand
> aminoct12.in. In this way, the issues you mention regarding differences
> between carboxylic acid and carboxylate don't apply for the side-chain. I
> already noticed that changes in GLU charges in amino12.in and
> aminoct12.inare quite small, and therefore thought that
> 'extrapolating' these changes for a C-terminal GLH might be OK.
Sorry I mis-understood your email... That being said personally I do
not like the word 'extrapolating' in the context of charge derivation
;-)
regards, Francois
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Received on Tue Jun 05 2012 - 23:30:03 PDT
