vsrid001 at odu.edu
Tue Jul 5 20:53:50 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.
I used g_dielectric -f Mtot.xvg -d -o -c
Am I doing anything wrong? Mtot.xvg is obtained from g_dipoles.
Did anyone actually run g_dielectric to get cole-cole distribution of
water(SPC216)? And if so, do you have published results with Gromacs?
Thanks in Advance!
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