[gmx-developers] Regd. potential on grid caculation in PME

Anjan Raghunathan araghuna at uiuc.edu
Thu Oct 28 21:44:39 CEST 2004

Hi all,
    I'd like to know if there is a way of getting the
electrostatic potentials from PME(direct+k space) in a
plane(grid) that I define in the system every time step. I
thought of using dummy atoms but dont know if the energy
exclusion will take care of excluding the coulomb interactions
also(usually get warnings like cannot exclude coulomb
    I would appreciate it if some one could point me to how
this could be accomplished or what code could be changed to do

 Anjan Raghunathan

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