Hi there,I have problems with generating conformers for a particular molecule using openbabel. Following the openbabel documentation I've used the following command line
obabel input.xyz -O output.xyz --conformer --systematic --ff GAFFin order to find all local stable conformers using GAFF but without success. The output just contains one structure. The same happens if I use a command line similar to that appearing in the documentation:
obabel input.xyz -O output.xyz --conformer --nconf 50 --score energyWhat is wrong with these commands? By the way how does openbabel perform this systematic conformational search? I would really appreciate it if someone could help me out with this.
Best regards Fouad Ballout
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