[gmx-developers] (no subject)
densign at stanford.edu
Thu Jul 13 22:02:12 CEST 2006
I've got a little function that needs to know the kinetic and potential energy of the
system, at the end of the main md loop (in do_md) ...
To send these values to my function, I'm using:
mdebin->ebin->e.e for the potential energy, and
mdebin->ebin->e.e for the kinetic energy
where, luckily, the potential energy is index 11 for my system and the kinetic energy is
index 10 ...
Argh, how can I determine these indices on the fly? Is there a better way to access these
"Give up learning, and put an end to your troubles." -- Lao Tzu
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