[gmx-users] Re: Extracing energy components
Huafeng Xu
huafeng at maxwell.compbio.ucsf.edu
Wed Mar 16 20:47:32 CET 2005
When I used the g_energy on the rerun trajectory, which had the defined
energy groups, it did not give me any extra information. The same
selections for terms appeared in the interactive menu, and the resulting
energy.xvg file contains only one data set, that of the total potential
energy.
How can I get the individual energy components for the interaction between
the solute and the solvent?
Huafeng
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