[gmx-users] request for future tools

[Jian Zou]

David wrote:

>I have now implemented the above. You wil henceforth be able to do:
>g_energy -f kkk.edr << EOF
>Pot
>Kin
>Tot
>EOF
>
>The best fit will be used, if you select e.g. Pres the first term
>starting with Pres will be used.

Hi David, thanks for the improvement of g_energy.

I wonder if the order of the selections does matter in this new version of 
g_energy,
ie. the outputs of
g_energy -f ener.edr << EOF
Pot
Kin
Tot
EOF
and
g_energy -f ener.edr << EOF
Tot
Pot
Kin
EOF
will have the different order of columns.

I'm asking this because when selecting energy items using a number, 
selecting "10 11 12 0" and "11 12 10 0" results in the same output.


Regards,

Jian Zou