[gmx-users] Coulomb Energies

ali.hassanali.1 hassanal at purdue.edu
Mon Nov 8 01:49:06 CET 2004

Dear Gromacs Users,

I was trying to figure out how LR and SR were determined for the coulomb
energy total. If for example I have a charge A and I am looking for its
coulomb short range interactions, how is that determined - is it based on
some max-radius around that charge? Do the long range forces then fall
outside that radius? What is the rationale for distinguishing between the
2? I understand that they are calculated in different way (minimunm image
vs lattice) but I dont understand their physical origin? Any help will be

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