Eigenvalues (energies) in nmode output files are in units of reciprocal
centimeters (wavenumbers)
> Hi,
>
> I want to clarify units in the output of mmbsa and nmode. From mmpbsa
> enthalpy calculations one gets kcal/mol. So, nmode run separately to
> calculate entropy produce output in kcal/mol OR cal/mol ( it means it is
> already T*S values) ?
>
> Best
> Arturas
>
> --
>
> Arturas Ziemys, PhD
> School of Health Information Sciences
> University of Texas Health Science Center at Houston
> 7000 Fannin, Suit 880
> Houston, TX 77030
> Phone: (713) 500-3975
> Fax: (713) 500-3929
>
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Received on Sun Sep 07 2008 - 06:07:17 PDT
