[gmx-users] How can I calculate Potential Energy of the segment divided by index file?

大木啓輔 keisuke.ohki at keio.jp
Thu Jan 5 21:58:39 CET 2017

Dear Gromacs users 

I want to calculate Potential Energy of segment of the structure.
For example, segment that coordinations in z axis are 7.2 Å in the structure.

I could specify that segment of atom numbers by writing index file.
But gmx energy has no option of specifying segments by index file.

Then, how should I get the Potential Energy of segments?
Could you tell me how to solve this problem, please?


Keisuke Ohki.

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