[gmx-users] DNA persistence length with g_polystat

Leandro oskolkov at polly.phys.msu.ru
Tue May 15 15:42:02 CEST 2012

Dear Gromacs users,

I am doing MD simulation of DNA oligomers and need to calculate their
persistence length. Using g_polystat with -p persist.xvg I discovered that
the output file contains a lot of "nan" values among other values of numbers
of bonds. As far as I understood reading this forum, there were other people
who also had nan-problems using g_polystat. Is there a bug in g_polystat
function or I am doing something wrong? I am using "DNA" index group that I
believe is appropriate for calculation of DNA backbone persistence length.
Thank you!   

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