[AMBER] Separate work values for each restraint in SMD

From: Sundar <jubilantsundar.gmail.com>
Date: Wed, 16 Jan 2019 09:10:17 -0600

Dear Amber Users,

I am performing steered MD with multiple distance restraints.
Does anyone know how to print Jarzynski's work value for each of the
restraints separately?
I am currently using DUMPFREQ and DUMPAVE, which only prints only one work
value. I think that is an average for all the restraints.

Any help would be appreciated.

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Received on Wed Jan 16 2019 - 07:30:02 PST
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