[gmx-users] Re: g_velacc

[Vitaly Chaban]

> No special reason, just mundane ones: computing the diffusion constant
> through mean square displacement is easier in terms of convergence.

But it is not applicable in the anisotropic systems, for example in
ones with spatial confinements present... :)



-- 
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban