Re: [gmx-users] Re: MSD normalization

2011-12-05 Thread Mark Abraham
On 6/12/2011 3:58 AM, Sławomir Stachura wrote: Hi, There is something interesting concerning these MSD calculations. If I treat Centre of Mass MSD if it'd be expressed not in nm^2/ps , but Angstroms^2/ps, I get ideally the same results as for mass-weighted ones. And it's true for all my thre

[gmx-users] Re: MSD normalization

2011-12-05 Thread Sławomir Stachura
Hi, There is something interesting concerning these MSD calculations. If I treat Centre of Mass MSD if it'd be expressed not in nm^2/ps , but Angstroms^2/ps, I get ideally the same results as for mass-weighted ones. And it's true for all my three cases, in which I performed simulation of diffe