[gmx-users] g_dipole

Nilesh Dhumal ndhumal at andrew.cmu.edu
Mon Mar 7 21:52:22 CET 2011

I am calculating vibrational spectra by calculating the Fourier transform
of dipole moment correlation function. I have fortran code for the
calculation of vibration spetra from the Fourier transform of dipole
autocorrelation function.

For better spectra I want to calculate the dipole autocorrelation function
at eash 1fs using g_dipole. How can I do that.

I am using  Gromacs VERSION 4.0.7 version.



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