Hi all,
I would like to know how(if at all) a choice of solvation method (i.e.
implicit vs explicit) would reflect on the final analysis of a peptide
(115 residue) if I'm using PCA to extract any conspicuous domain
motions. I've analysed the trajectory from a GB simulation(1ns) and
wondering if the overall behaviour would be any different with explicit
solvent conditions.
Thanks in advance,
Keerthi.
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Received on Wed Nov 08 2006 - 06:07:21 PST
