vsrid001 at odu.edu
Mon Jun 20 11:29:15 CEST 2005
Hi GMX Users,
I was able to get the dielectric constant of SPC 216 Water model using
g_dipoles function. But when I try to look at g_dielectric to get the
cole-cole distribution, I am not able to get reasonable numbers for real
and imaginary part of permittivity. And When I look at epsilon as a
function of frequency, I am not getting reasonable numbers again.
Did anyone actually run g_dielectric to get cole-cole distribution of
water using SPC216? And if so, do you have published results with Gromacs?
Thanks in Advance!
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