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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
