AMBER Archive (2009)

Subject: [AMBER] bond length energy

From: Thomas Lake (thomas.lake08_at_imperial.ac.uk)
Date: Wed Jun 17 2009 - 09:04:55 CDT

Hi,

Is there a function for calculating the bond length energy between a
pair of atoms in a molecule? In my case I want to calculate the bond
length energy of a disulfide (S-S) bond, as a function of time. I can
calculate the bond distance using ptraj.

Thanks

Thomas Lake
Imperial College London

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