GROMACS version:
GROMACS modification: Yes/No
Dear all,
I am running an NVT simulation of a water box for 600 ps using periodic electric field. In the mdp file, I specify the electric field as:
electric-field-x =0.04 1 300 0
I want to obtain the dielectric constant, so I give:
gmx dipoles -f nvt-Efield.trr -s nvt-Efield.tpr -c dipole-correlation.xvg -corr total -temp 300
gmx dielectric -f dipole-correlation.xvg -o dielectric-constant.xvg
however, the picture I got is as the attached.
I wonder why the x-axis is frequency? I didn’t scan the frequency. I was expecting time as the x-axis.
Many thanks for any help.
Best wishes,!
