[gmx-users] VAC

[Lianqing Zheng]

Hi, Erik:

I just read your article "molecular dynamics simulation of NMR relaxation
rates and slow dynamics in lipid bilayers" submitted to JCP in your phd
thesis, in which you discussed double-logarithmic plot of velocity
autocorrelation function. Hope you still remember it. :) It's quite
interesting to me since I'm trying to get some dynamical properties from
well-converged autocorrelation functions. I tried to plot double-log plots
of my ACFs, but immediately found a problem: some values in ACF are
negative, so there is no corresponding log values. What did you deal with
this problem?

Thanks!

Lianqing

PS: I don't know your personal email, so send this email to this list.
Hope this is OK. :)