GROMACS version: 2020.2
GROMACS modification: No
I am simulating the deposition of C60 Molecules onto a graphene sheet. I am interested in the density analysis.
It seems that the density can be measured either by using the gmx energy or by using the gmx density and I would like to know what is the difference between the density values obtained by: gmx energy -f npt.edr -o density.xvg and by: gmx density -s md_0_1.tpr -f md_noPBC.xtc -o density.xvg ?
I have noticed that the values of the density obtained by gmx energy is with respect to time while the values obtained by gmx density is with respect to distance. If this is the only difference, then why did I obtain different values in each curve (The values obtained using gmx energy is on the left side with average value 1300 and the values obtained from gmx density is on the right side with average value 1550)?