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

Guillaume Chevrot gchevrot at cnrs-orleans.fr
Sun Aug 4 22:37:28 CEST 2013


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

I forgot to mention but the MSD are obtained from 10 ns NVE simulations.



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