[gmx-users] units of frequency

Luke Czapla czapla at rutchem.rutgers.edu
Wed Nov 28 16:56:36 CET 2001


  I was still wondering what units the output of the mass-weighted hessian
matrix diagonalization is in.  I checked the table of units in the gromacs
manual and no mention of this.  Heres a line from the output file (column
one is the eigenvalue number and two is the eigenvalue):

     1        0.346818

I figure this is omega squared (the eigenvalues from diagonalization), but
I need to know what units omega is in (THz, MHz, Hz?).


More information about the gromacs.org_gmx-users mailing list