[gmx-users] relative reorientation calculation

Md. Imrul Reza Shishir imrul.reza.shishir at gmail.com
Tue Jan 3 10:24:11 CET 2017

Dear all
Good day.

I am working one 36 chain fibril cross section. I want to calculate
relative reorientation with respect to the center chain. For my simulation,
i use position restrain in the center chain. I am little confused how I
calculate relative reorientation (Δφ/Δr). Do I have to calculate average
distance and angle by gmx distance and gmx gangle with respect time, then
calculate the relative reorientation.

I have another quarry about gmx distance and gmx gangle. When we select a
group what is it mean by number of position is not even (gmx distance) or
divided by 3 (gmx gangle).

*Md Imrul Reza Shishir*
Master Student
*Inha University*
*CRC for NanoCellulose Future Composites*
36 Getbeol-ro, Yeonsu-gu
Incheon 21999
South Korea

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