[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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