[gmx-users] energy units

Michal Kolinski mkolin at iimcb.gov.pl
Tue Apr 19 15:45:53 CEST 2005


Hi all 
In manual it says energy units are kj/mol.  G_energy gives all the energies in kJ mol\S-1\N units:
@    title "Gromacs Energies"
@    xaxis  label "Time (ps)"
@    yaxis  label "E (kJ mol\S-1\N)"
My system is made of dppc lipid, protein, ligand and ions. 
Is there any easy way to calculate all the energies using kj/mol units.
Thank you in advance.

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