[gmx-users] how to find out the average running structure

Sonali sonalipriyadarshini at gmail.com
Wed May 23 10:04:54 CEST 2007

Hi everybody,
i am a new user of gromacs, i had run simulation for 10,00000 iterations
with the protein 1f9b and have obtained all the required output files.
after comparing and analysing the potential energy.xvg file and rms(root
mean square deviation).xvg file i have found out that there is most minimal
fluctuation between 1870 to 1926 ps region in both cases . now i want to
know how to find out the average running structure between these regions.
please suggest me how to obtain an average running structure between 1870
and 1926.
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