Hi What does g_dielectric take as an input? Is it the total dipole moment of a system or is the ACF of the total dipole moment?
The manual suggests the Mtot.xvg for input but it explicitly mentions the ACF which is consistent with the J.Phys.Chem paper. Which one should be used? I am not sure I can understand the meaning of the -efit, -eint and -tail flags. What values should these flags have in order to get reasonble (compared to theJ.Phys.Chem paper) diel. properties for a PME SPC water simulation. Thanks a lot in advance. George Dr. George Patargias Polymer IRC Group University of Leeds Leeds, LS2 9JT, UK -
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