Dear Ross Walker,
We are new users to Amber 10. We are trying to work through tutorial on
sustiva.
We tried running the following command:
$AMBERHOME/exe/antechamber -i sustiva.pdb -fi pdb -o sustiva.mol2 -fo
mol2 -c bcc -s 2
and the result was:
Running: /usr/share/amber10/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
Running: /usr/share/amber10/bin/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 160; net charge: 0
Running: /usr/share/amber10/bin/mopac.sh
/usr/share/amber10/bin/mopac.sh: line 12: /usr/share/amber10/bin/mopac:
No such file or directory
mv: cannot stat `FOR006': No such file or directory
Cannot open mopac output file: mopac.out in rmopacharge(), exit
We failed to get the whole series of files as indicated.
Would would be grateful if you could help.
Many Thanks,
David Lisgarten, david.lisgarten.canterbury.ac.uk
Joanna Fell.
Rex Palmer.
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Received on Wed Jun 10 2009 - 01:07:36 PDT
