Re: [gmx-users] Autocorrelation of dipole moment

probably yes, but you need to test that assumption. best Andre On Wed, Jun 22, 2011 at 8:25 PM, Chathurika Abeyrathne c.abeyrat...@student.unimelb.edu.au wrote: Thank you. If I apply an electric field will I be able to get only positive values? Regards, Chathurika. 2011/6/22 André

Re: [gmx-users] Autocorrelation of dipole moment

sure, the ACF for a vector gives you the average cosine between that vector at time t=0 and the same vector at a later time lag, thus negative values may be seen as an inversion of the direction to which the vector points out (-1 would be the value for a vector lying 180 degrees away from the

Re: [gmx-users] Autocorrelation of dipole moment

Thank you. If I apply an electric field will I be able to get only positive values? Regards, Chathurika. 2011/6/22 André Farias de Moura mo...@ufscar.br sure, the ACF for a vector gives you the average cosine between that vector at time t=0 and the same vector at a later time lag, thus

[gmx-users] Autocorrelation of dipole moment

Hi, Is it possible to get negative values for normalized autocorrelation of total dipole moment. Thank you. Regards, Chathurika. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at