Dear Amber users,
I am trying to perform entropy calculations for a very large system
using nmode. Apparently there is not enough memory to obtain the
vibrational entropy for the system. I would like to know if there is
any way that I can just obtain the translational and rotational
entropies, such as by altering the source code. Thanks.
-Yaw Sing
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Received on Thu Mar 22 2012 - 04:00:03 PDT
