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Dear Amber Community,
I am looking to obtain a radial distribution function from some of the
simulations I have run. Using the ptraj function radial I have extracted
a radial distribution function from my results, but the plot looks
sloppy. The plot looks like a histogram and the function does not look
very smooth. This also is not very helpfull if I need to use it in
further claculations.
Is there some way in ptraj to obtain a smooth g(r) function? If that is
not possible, does anyone know of a source where I could get a verified
program to get a g(r) from amber output?
Best Regards,
Armin
P.S.: I am using Amber 7.
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Received on Mon Mar 14 2005 - 19:53:00 PST
