AMBER: Why I get the same TSTRA for different strucutures from Nmode calculation?

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From: Yuqin Cai <yc385.nyu.edu>
Date: Fri, 21 Nov 2003 12:54:54 -0800

Dear Amber users,

When I calculated the entropies using Nmode, I got exactly the same TSTRA (15.70 Kcal/mol)for all the 6 snapshots which were generated evenly from 5ns of dynamics simulation. Am I supposed to get a slightly difference between them just as the other terms like TSROT TSVIB? Any suggestions ?

Regards,

yuqin

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