Re: [AMBER] H-bond vs. time

From: David A Case <>
Date: Fri, 22 Jul 2011 08:20:11 -0400

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?


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Received on Fri Jul 22 2011 - 05:30:04 PDT
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