[gmx-users] makes sense for Ryckaert Bellemans dihs. only.
Sadaf Rani
sadafrani6 at gmail.com
Mon Mar 16 19:05:18 CET 2020
Dear Gromacs users
I am calculating a dihedral angle between certain atoms by following
command:-
gmx angle -type dihedral -f md_1000ps.xtc -n dihedral.ndx -ov group.xvg -of
trans.xvg
Group 0 ( dihedral1) has 4 elements
Group 1 ( dihedral2) has 4 elements
Group 2 ( dihedral3) has 4 elements
Select a group: 2
Selected 2: 'dihedral3'
I get a warning as below:-
Warning: calculating fractions as defined in this program
makes sense for Ryckaert Bellemans dihs. only. Ignoring -of
What does it mean? Can anyone please help me to understand? I am using
gromacs 2020
Thanks.
Sadaf
More information about the gromacs.org_gmx-users
mailing list