Recalculating energies

From: John Finke <>
Date: Tue 16 Apr 2002 17:45:23 -0700 (PDT)

Is there an easy way to re-calculate energies for configurations from an
md simulation using a new "mutated" (i.e. Free Energy

I tried looking into carnal to compute the new energy values for each
iteration but it only appears to compute mostly structural properties of
the configurations.

John Finke

Received on Tue Apr 16 2002 - 17:45:23 PDT
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