ERROR: Dihedral Type Labels map is incomplete (../read_data.cpp:2386) Last command: read_data reacted.data

cross.in (1.1 KB)
reacted.data (20.6 KB)

Hello,
I am facing a problem when I use labeling in lammps data file especially this error:

ERROR: Dihedral Type Labels map is incomplete (…/read_data.cpp:2386) Last command: read_data reacted.data

is there any solution please.
I am using LAMMPS (17 Apr 2024)

You have to correct your type map. Each type label has to be unique, but your dihedral map does not conform to that requirement. For example the following three lines:

  1     X-C_2-C_3-X
  2     X-C_2-C_3-X
  3     X-C_2-C_3-X

will lead to X-C_2-C_3-X being mapped to type 3. The map to types 1 and 2 are overwritten.

Thank you, I have noticed that. now it is working very fine

sir now i am facing an other problem, that no reaction is made i am getting 0 reaction
automap.data (567 Bytes)
cross.in (1.3 KB)
output.data (577.4 KB)
postpy2.mol (15.1 KB)
prepy2.mol (13.5 KB)

I’d you have .new problem,. create a new topic.