Follow the usual advice of copying the error message into a search engine,
i.e. something like "acpype no babel executables". You will get lots of
hits, as this seems to be a common problem.
Note that acpype is not a part of AmberTools, so you probably need to
re-check how you installed it.
....dac
On Fri, Oct 20, 2023 at 6:27 AM K A SIVASANKER via AMBER <amber.ambermd.org>
wrote:
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 20 2023 - 07:30:05 PDT
