[gmx-users] g_dipole

Nilesh Dhumal ndhumal at andrew.cmu.edu
Mon Oct 15 16:30:26 CEST 2012


Hello,

I am calculating the dipole moment auto-correlation function for my system
which have 128 cation and 128 anion.

Due to the PBC, the function of the total dipole moment in time is not
continuous.

Can I removed PBC for g_dipole?



Thanks

Nilesh





More information about the gromacs.org_gmx-users mailing list