subject:"\[gmx\-users\] Re\:Re\:Re\: MSD normalization"

Re: [gmx-users] Re:Re:Re: MSD normalization

2011-12-08 Thread Mark Abraham

On 9/12/2011 5:37 AM, Sławomir Stachura wrote: Hi! Thanks Mark for reply. When I calculated fractional diffusion constant from mass weighted MSD of long simulation I get sth about 0.05. But when I do the same for centre of mass, considering that MSD is expressed in nm^2, the result is 1.35. Wh

[gmx-users] Re:Re:Re: MSD normalization

2011-12-08 Thread Sławomir Stachura

Hi! Thanks Mark for reply. When I calculated fractional diffusion constant from mass weighted MSD of long simulation I get sth about 0.05. But when I do the same for centre of mass, considering that MSD is expressed in nm^2, the result is 1.35. When I look into xvg file MSD of centre of mass is