[gmx-users] Units for Eigenfrequencies - g_nmeig

[Jon Ellis]

Hello gmx-ers

I am a little confused about the units for the normal mode  
eigenfrequencies output by g_nmeig.
In a previous post, Berk wrote: "The unit is ps^-2 for mass-weighted,  
amu ps^-2 for non mass weighted. In the CVS code it is cm^-1, which  
is written in the xvg file"

I have tried both versions 3.3 and 3.3.1, and the units I get for the  
mass-weighted NMA eigenfrequencies is [cm/s-1/N]. I do not understand  
if this is a time-frequency or a mass-weighted cm^-1 unit.

If the frequencies are in ps-2, how to convert it to the wavenumber  
cm-1?

Any help would be appreciated.

Cheers
Jon Ellis


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Jon Ellis
PhD Candidate, Thompson Group
Institute of Biomaterials and Biomedical Engineering/Dept of Chemistry
University of Toronto
Lash Miller 147
(416) 978-6568
jon.ellis at utoronto.ca
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