I concur with Dr. Case on his answer. The area per lipid and many other
macroscopic quantities
are relatively insensitive to the second decimal changes in the parameters
and should generally be within the
error bars of the property estimation.
On Wed, Jan 9, 2013 at 12:38 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Wed, Jan 09, 2013, Dickson, Callum wrote:
> >
> > We have recently been made aware of this error (it was a typo
> > unfortunately). Correcting the hydrogen mass somewhat drops the area per
> > lipid further from experiment.
>
> This might be caused by incomplete equilibration. In classical dynamics,
> configurational averages (such as the area per lipid) are independent of
> atomic masses.
>
> ...dac
>
>
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Received on Wed Jan 09 2013 - 11:00:04 PST
