[gmx-users] g_angle and a dihedral
Vitaly V. Chaban
vvchaban at gmail.com
Sun Sep 6 17:09:11 CEST 2015
I compute a dihedral using g_angle.
g_angle -h:
It should be noted that the index file must contain atom triplets for angles
or* atom quadruplets for dihedrals*. If this is not the case, the program
will
crash.
I get:
Program g_angle_mpi, VERSION 4.6.1
Source code file: /root/workdir_kn/gromacs-4.6.1/src/tools/gmx_angle.c,
line: 228
Fatal error:
number of index elements not multiple of 3, these can not be angle triplets
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
My index.ndx:
[ angles ]
16 8 7 46
Is it healable?
More information about the gromacs.org_gmx-users
mailing list