ewald self energy

From: Chen, Zhihong (chenz2) (chenz2_at_mail.uc.edu)
Date: Thu Sep 16 2010 - 15:12:07 CDT

Hi guys
  I get the ewald self energy in namd for one ion which is different from I calculated by hand. So i think the ewald energy may not converge well. Does anyone know that if i can just change the code of PMErealspace.c and PMEkspace.c and recompile my namd? anyone have ideas to solve the problem? Thanks
Jackie Chen

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