RE: [gmx-users] units of eigenvalues of mass-weighted covariance matrix

> Date: Wed, 10 Jun 2009 12:16:16 +1000 > From: mark.abra...@anu.edu.au > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] units of eigenvalues of mass-weighted covariance > matrix > > Wang Qin wrote: > > Dear all, > > I am confused on the units o

Re: [gmx-users] units of eigenvalues of mass-weighted covariance matrix

Hi, Well, as has been pointed out before nm\S2\N stands for nm superscript 2 normal. That is correct for non mass-weigthed covariance analysis. It's just fluctuation. Why would it be kg/m2 (kg/nm2) for mass weighted? Look at the equations in the manual. It's sqrt(mass)*sqrt(mass)*nm*nm, which make

Re: [gmx-users] units of eigenvalues of mass-weighted covariance matrix

Wang Qin wrote: Dear all, I am confused on the units of the eigenvalues calculated from g_covar of mass-weighted covariance matrix. From the output, it says the unit is "(nm\S2\N)" but from my understanding, it is supposed to be kg/m2. Various of the GROMACS analysis tools don't write t