[AMBER] Obtain dynamical matrix away from equilibrium

From: The Cromicus Productions <thecromicusproductions.gmail.com>
Date: Thu, 9 Feb 2017 13:00:37 -0500

Hi everyone,

I'm performing some non-equilibrium simulations and would like
to obtain the instantaneous normal modes (diagonalizing the dynamical matrix
at different configurations). Any idea of how to do this?
Using normal mode analysis (as in nab) is out of question because
that pulls my configuration into the equilibrium during the minimization.
Since now thanks for any clue you may provide me.


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Received on Thu Feb 09 2017 - 10:30:02 PST
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