[gmx-users] PME energy calculation

李浩 lihaotj at gmail.com
Fri Jul 1 09:51:03 CEST 2011

Hello Everyone,

I am using PME(4.05) to calculate the long-rang electrostatic interaction,
but when I finished the

Simulation, I found that I can’t get the result of energy of the part of
“fourier space(long range part)”. In other word,there is only a
congregation of energy of that named Coul. recip. Is there any way that I
can get the energy of “group to group” of the “fourier space” ?




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