hi list, using gmx chi -s file.tpr -f file.xtc -maxchi 1 -all -g -o i try to get the different rotamers and transition between them per ns. however, the chi.log output file has for every residue only this:
Residue LYS12 Angle [ AI, AJ, AK, AL] rotamers 0 g(-) t g(+) -------------------------------------------- Chi1[ 120, 122, 124, 127] 0.00 0.00 0.00 0.00 any idea why? the xtc file is aligned and pbc was solved beforehand. Thank you very much, Max -- 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.
