[gmx-users] Doubt about density of states from md trajectory

Varvdekar Bhagyesh Rajendra bhagyesh.varvdekar at research.iiit.ac.in
Thu Oct 26 17:50:07 CEST 2017

Dear all,

I have found density of states (Dos) of a protein ligand system from gmx dos command of gromacs. I would like to know if it employs the same principle component analysis as used in g_covar. If not what are the differences. 

Also the Dos obtained from gmx dos has solid and diffusive components, please can anyone shed light on what are they exactly?

Thank you,


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