RE: AMBER: Amber job submission using PBS

From: Bill Ross <>
Date: Thu, 23 Sep 2004 12:18:37 -0700 (PDT)

> mpirun -np 4 $AMBERHOME/exe/sander -O -i ../mdin -o jac.out.4proc -c
> ../inpcrd.equil -r restrt -p ../prmtop

make sure that examples like this get pasted as a single line,
otherwise you may see error msgs like

  "../inpcrd.equil - command not found"

extending a line over many is usually done like this:

  mpirun -np 4 $AMBERHOME/exe/sander -O -i ../mdin -o jac.out.4proc \
                -c ../inpcrd.equil -r restrt -p ../prmtop

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Received on Thu Sep 23 2004 - 20:53:00 PDT
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