Den 2018-12-10 kl. 21:57, skrev Kevin Boyd:
Hi,
If you're reporting a diffusion coefficient, they're probably looking for
you to justify that you're out of the short-time subdiffusive regime. My
experience is in bilayer simulations, where the MSD hits that regime
typically in the time lag range
Hi,
If you're reporting a diffusion coefficient, they're probably looking for
you to justify that you're out of the short-time subdiffusive regime. My
experience is in bilayer simulations, where the MSD hits that regime
typically in the time lag range of ~10-20 ns.
For a qualitative estimate of
Hi,
unusual request, but here goes. I am dealing with a referee to one of my
papers who is asking for a mean square displacement plots:
"a log-log plot of the MSD vs. time, from which one could judge whether
the long-time limit subject to multiple collisions and obstructions is
actually
Hello all
I would like to plot mean square displacement of hydrogen atoms of protein
versus temperature (in order to get dynamical transition temperature). I am
using g_msd for this purpose (g_msd -f *_nopbc.xtc -s *.tpr -n index.ndx -o
*.xvg) . I am getting following curves as uploded in :
Hello all
I would like to plot mean square displacement of hydrogen atoms of protein
versus temperature (in order to get dynamical transition temperature). I am
using g_msd for this purpose (g_msd -f *_nopbc.xtc -s *.tpr -n index.ndx -o
*.xvg) . I am getting following curves as uploded in :
