[AMBER] thermo, entropy by quasiharmonic method

From: Carra, Claudio (JSC-SK)[USRA] <"Carra,>
Date: Fri, 30 Jan 2009 15:35:37 -0600

Dear All,
I'd like to know if there is a way to calculate the entropy,
using the mass weighed covariance matrix, for each
snapshot.
So far a managed to get the final value,
but I'd like to see its change in function of time.
thanks so much in advance
sincerely
claudio

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Received on Sun Feb 01 2009 - 01:12:23 PST
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