[gmx-users] Units + normal mode analysis

Nilesh Dhumal ndhumal at andrew.cmu.edu
Thu Apr 29 22:17:22 CEST 2010


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?

Thanks

Nilesh






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