[gmx-users] potential energy of specific group

Mark Abraham Mark.Abraham at anu.edu.au
Sun Aug 5 16:25:51 CEST 2007

taojinwuhan at sohu.com wrote:
> Hi all,
> I am a freshman in using gromacs. According to my unstanding, the 
> "potential" in g_energy
> indicates the system's potential energy. Now I want to know the 
> potential energy of a specific
> group, such as the protein. How should I get it? Could  anybody  give 
> me  any help ? Thanks a lot!

Either follow Yang's after-the-fact approach, or read section 3.4, 7.3.7
and 8.1 of the manual, or preferably both.


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