[gmx-users] edr file

[Andrew Bostick]

Dear Justin,

Thanks for your answer.

I know, Energy minimization causes energy to go down.
For example, in following lines, I want to know what value is for step 12
or step 22 in energy minimization?

>     11.000000  -91587.226562
>     13.000000  -93838.976562

or

>     21.000000  -99023.460938
>     23.000000  -99470.914062