While trying to import Autodock session (AutoDockTools 1.5.7) I am receiving an error (attached below). All files work during simulations, yet it is impossible to open saved session file.
mol.2 file (attached below) does not seem to be corrupted (since it works while starting the simulation from the very beginning)
Part of the error message:
The file ligand_optimized doesn't contain any mol2 records
The file ligand_optimized doesn't have Atomrecords, molecules can't be built
Hello, Michał Sobieraj !
I checked your mol2 file and it seems to be all right: the atom types, the connectivity, and the data distribution through the file. I also uploaded it on AutoDock Tools and PyMOL, and I didn't find any problem.
As I saw on PyMOL and considering I am not wrong, I assume that your molecule is neutral. You could check the mol2 charges, because maybe the total charge of the molecule is not as accurate as it should. Personally, I'm not sure if this could lead into the problem you are facing, but I think it is really important to have this point completely fixed before perform any subsequent job.
Hope this is helpful,
Bests!
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