[gmx-users] Units + normal mode analysis

Justin A. Lemkul jalemkul at vt.edu
Thu Apr 29 23:14:11 CEST 2010

Nilesh Dhumal wrote:
> Hello,
> I am doing normal mode analysis for my  ststem.
> I run the following command.
> g_nmeig -f nm.mtx -s 2.tpr -of freq.xvg
> I could genrate the  eigenfreq.xvg  file.
> Can you tell what the units for wavenumber.
> It giving the unit [cm\S-1\N].
> How can I convert to cm-1?

That's exactly what it is, written in xmgrace notation (if you open it in 
xmgrace you'll see).  \S is for superscript, \N for return to normal font.


> Thanks
> Nilesh


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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