On Wed, Sep 29, 2010, Jorgen Simonsen wrote:
>
> I am doing a simulation of a charged peptide chain of 15 residues and I
> owuld like to use the implicit solvent model for it. I am worried it is a
> bad idea. Is it possible to use the implicit solvent even though you have
> charged amino acids in your system - the overall charge is -1 which probably
> makes it worse - could anyone suggest some nice papers dealing with this
> issue?
There should be no problem using GB methods for charged molecules; the
original studies were to RNA and DNA, which are highly charged molecules.
....dac
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Received on Wed Sep 29 2010 - 05:30:07 PDT
