[AMBER] Quasi-harmonic calculation

From: Amika Sood <amika.uga.edu>
Date: Wed, 13 Apr 2016 13:15:06 +0000

Dear AMBER users,

I am calculating entropy of a protein-ligand complex with Quasi-harmonic and single-trajectory approach. Is it calculating the entropy of the entire complex. I am new to QHA and it will be very helpful if you can suggest the appropriate literature to review to understand this method.

Thanks,
Amika.

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Received on Wed Apr 13 2016 - 06:30:05 PDT