I think the combination of the igb=7 model (with appropriate radii) and the
ff99SB force field performs well for use of GB as a water model- but I
think there is little experience with GB as an implicit low dielectric
solvent. likewise, the peptide force fields themselves are really designed
for aqueous solvent.
On Wed, Dec 7, 2011 at 11:43 AM, Jose Borreguero <borreguero.gmail.com>wrote:
> Dear AMBER users,
>
> I've never used an implicit solvent force field, I wonder which one is the
> most adequate to simulate a peptide in an implicit solvent with low
> dielectric constant. Also, how do I set the value of the dielectric
> constant in the simulation?
>
> - Jose
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Received on Wed Dec 07 2011 - 10:30:02 PST
