[gmx-users] comparison of covariance analysis and normal mode analysis for entropy calculations

[Hari Shankar M]

Dear GMX-Users,

I was wondering if anyone compared the entropy estimates obtained from covariance analysis and normal mode analysis for a simple one-well case, using the GROMACS 4.5 version. If so, how well do these match?

Best,
Hari

===========================================

Hari S.Muddana

Postdoctoral Scholar (Gilson Group)
University of California, San Diego

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