[gmx-users] g_dielectric
VISWANADHA SRIDHARA
vsrid001 at odu.edu
Tue Jan 11 12:09:34 CET 2005
Hi Everyone,
I was trying to figure out how to use g_dielectric to find the epsilon as a
function of frequency.
I used g_dipoles to get dipole fluctuations, and from that using
Frohlick-Kirkwood formuale, I was able to get the dielectric constant.
But while using g_dielectric, I am getting negative values of epsilon, as a
function of frequency. The system I am using is the simple SPC model of
water.
Did anyone try to figure out how to use this function, If so kindly let me
know.
Thanks in advance.
Sri
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