[gmx-users] Re: Mean Square Displacement: gromacs 4.5 Vs gromacs 4.6.1

Hi, I just did the simulation with the last version of Gromacs (4.6.3) and it seems that the problem has disappeared!! Regards, Guillaume -- View this message in context: http://gromacs.5086.x6.nabble.com/Mean-Square-Displacement-gromacs-4-5-Vs-gromacs-4-6-1-tp5010317p5010425.html Sent from

[gmx-users] Re: Mean Square Displacement: gromacs 4.5 Vs gromacs 4.6.1

Hi, I effectively refer to the MSD of the protein. My simulation is different compared to the simulation of a lipid bilayer and the "normal" MSD for a protein in water should be equivalent to the red plot. I forgot to mention but the MSD are obtained from 10 ns NVE simulations. Regards, Guill