[gmx-users] potential energy of specific group

[Yang Ye]

Hi,

You shall

1. Extract the protein coordinates (use trjconv and select groups) from
your trajectory file (.xtc).
2. Make a .tpr file which only contains protein.
3. Use mdrun -rerun to process the trajectory file obtained from 1.

Regards,
Yang Ye

On 8/5/2007 4:28 PM, 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!
>
> Paul
>
>
>
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