[gmx-users] Coulomb interactions (PME)

[Misha]

Hello all,

I am interested in getting (Coulomb) potential energy interaction between groups at each step of PME MD trajectory. How the C code should be modified in order to write its value to output trajectory file?

Best regards,
Misha Vener
Karpov Institute of Physical Chemistry
vener at cc.nifhi.ac.ru

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