[gmx-users] autocorrelation functions

[Mark Abraham]

On 5/04/2011 2:55 AM, shivangi nangia wrote:
>  Hello all,
>
>
> I need to calculate the end-to-end vector autocorrelation function of 
> my polymer chains. I could get the velocity autocorrelation function 
> using g_velacc tool.
>
> Is there a tool available for calculating end-to-end vector 
> autocorrelation function? If not, then is there an easy way to 
> modify/morph the g_velacc.c program to  do other autocorrelation 
> function calculations?

Use g_dist to get the distances and then g_analyze to find the 
autocorrelation.

Mark