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
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