[gmx-users] g_dipole: dipole moment autocorrelation function

[Nilesh Dhumal]

Hello,

I am trying to calculate the dipole moment autocorrelation
function for my system (ionic liquid). I am using gromacs 4.0.7 version.

I run the simulation for 4 ns.  I run the following command to calculate
 the dipole moment autocorrelation function

 g_dipoles -f water.trr -s water.tpr -corr total -c

The function is not geting converge to zero.

I want to use this data for calculation of power spectra by fourier
transfom of dipole moment autocorrelation function.

Can you tell why its not geting converge to zero?


Thanks

Nilesh