[gmx-users] MSD calculation

Hi GMX users: I did a simulation of a bilayer, and I would like to calculate the diffusion coefficent of lipids by g_msd command. I used the following command: g_msd -s *.tpr -f *.xtc -n index.ndx -beginfit xx -endfit xx -trestart xx -o msd.xvg I have 144 lipids in one leaflet. I am wondering w

[gmx-users] msd calculation

Dear All, I want to calculate msd for a group of atoms of my system in different directions (x, y and z). What is the exact difference between -type, -lateral and -ten in g_msd command? which one should I use? Thank you! -- Gromacs Users mailing list * Please search the archive at http://www.g