AMBER Archive (2005)

Subject: AMBER: Question about radial command in ptraj

From: opitz_at_che.udel.edu
Date: Mon Mar 14 2005 - 13:19:11 CST

('binary' encoding is not supported, stored as-is) 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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