[gmx-users] gmx chi package not working

Gilberto Valdes gilbertovgx at gmail.com
Tue Feb 20 02:09:52 CET 2018

Dear gromacs users,

I'm trying to calculate side chain dihedral angles and rotamers for the
residues in my protein. I used gmx chi package in gromacs 5.1.3 with the
following command line,

gmx chi -f traj.xtc -s topol.tpr -ot -g -rt -all yes

Calculations seems to run but only appear the files

Neither the dihtrans.xvg nor the (dihedral)(RESIDUE)(nresnr).xvg for the
residues output.

Any help I would appreciate,

Best regards


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