[gmx-users] Problem with g_rdf plot

Carla Jamous carlajamous at gmail.com
Thu Mar 24 11:09:56 CET 2011


Hi everyone,

I ran a water simulation and I tried to calculate radial distribution
function OO but I get strange peaks from r =1.5nm onwards.
I have 80000 atoms in a box of 9.5.

I post the graph as an attached file.

Please does anyone have an idea of what might be going on?

Thanks,
Carla
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