Dear Friends,I am trying to apply Generalised Amber Force Field onto a sodium cluster.The command i used was python acpype.py -i Na_20.mol2 -n 0 -a gaff -c user -f and the error i got is the no 'babel' executable, no PDB file as input can be used!
ACPYPE FAILED: [Errno 2] No such file or directory: 'tmp'
Total time of execution: less than a second.
Can you please how to solve the error?I previous similiar error which is due to the problem in paramchk,tleap or Openbabel.I already checked that paramchk and tleap is working.I generate this mol2 file using the command antechamber -i Na_20.gout -fi gout -o Na_20.mol2 -fo mol2 -c resp -s 2 -dr noRegards,
Sivasanker K A
NCL ID-12183
c/o Dr. Kumar Vanka
Physical & Material Chemistry
CSIR NCL Pune
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Received on Fri Oct 20 2023 - 05:31:27 PDT
