On Fri, Jul 22, 2011, Beale, John wrote:
>
> I would like to monitor
> the % occupancy of a single hydrogen bond in a protein over the
> trajectory. Is this possible?
By it's very definition, % occupancy is an attribute of a set of snapshots,
not of a single snapshot. Why not just use the trajin command to select
a certain range of snapshots, run the hbond analysis, then repeat the process
for different ranges?
...dac
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Received on Fri Jul 22 2011 - 05:30:04 PDT
