Hi amber users
While working on the antechamber tutorial for sustiva (i. e to create prmtop and inpcrd files for the
simulations of a protein-ligand complex), I got the following error which is shown below: [Weblink for this tutorial is http://ambermd.org/tutorials/basic/tutorial4b/]
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antechamber -i sustiva_new.pdb -fi pdb -o sustiva.mol2 -fo mol2 -c bcc -s 2
Running: /data1/apps/amber/10/intel-mkl-openmpi/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
Running: /data1/apps/amber/10/intel-mkl-openmpi/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 160; net charge: 0
Running: /data1/apps/amber/10/intel-mkl-openmpi/bin/mopac.sh
/data1/apps/amber/10/intel-mkl-openmpi/bin/mopac.sh: line 12: /data1/apps/amber/10/intel-mkl-openmpi/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
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Request you to kindly suggest solution for this
Thanking you
Ramesh K V
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Received on Tue Nov 29 2011 - 23:00:03 PST
