I think it would help significantly if you shared the PDB file you're trying to
use and what format you're trying to export to (.. I guess lpmdat for LAMMPS?)
It's very hard to know what atoms, dihedrals or atoms may be missing for you
(or why) without the actual data.
Thanks very much,
-Geoff
I am trying to obtain the coordinates, angles, and dihedrals and so on of
silk bdp file by using open babel. Although it says 945 atoms and convert
and give the coordinates of 449 atoms and does not give any dihedrals and
angles. there is missing angles and atoms. How can I solve this problem and
o
