Hello, 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. Thanks Nilesh -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
