[gmx-users] autocorrelation functions
Mark.Abraham at anu.edu.au
Tue Apr 5 02:09:34 CEST 2011
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
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