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Option 1 - Autodock Vina
Option 2 - AMBER
  • Download the input files from:
    • lfn:/grid/academicgrid/umt/amber
  • To run:
    • mpiexec $VO_ACADEMICGRID_SW_DIR/amber/exe/sander.MPI -O -i *.in –p *.prmtop –c *.in -o *.in.out -r *.rst -inf *.in.mdinfo
Option 3 - Clustal Omega
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