I have tried the command:
%output
pdbfile pdbfile
end
but its doesn't work. Any suggestions or sample input files?
Yoshinobu Ishikawa
Hi Ren,
You can convert ORCA output to PDB file format by Open Babel:
https://github.com/openbabel/openbabel/releases
0 votes
0 thanks
Diego Cortés-Arriagada
In the keyword line, you need to put "PDBFILE". Then, a PDB file is generated with the optimized structure.
!OPT PDBFILE ....
0 votes
0 thanks
More Ren Vien Anthony Fernandez's questions See All
Similar questions and discussions