The dotests.msub MOAB script runs a bunch of NWChem and Amber runs, you might have to
edit it to set the right path and account number.  The resulting test.out.* file
should be empty when the job completes.

Each one of these subdirectories is a seperate test with its own README file.
big: amino acid sequence
big.shake: amino acid sequence, which shake enabled
ethane: single ethane molecule
ethane+: single ethane molecule with a +4 charge
small: ALA dimer
methanol: solvent only run (NWChem only)

Within each directory is a README file that describes what results you should get.

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Hints for generating your own amber tests:
First you need a PDB file of the molecule of interest (assume this is tiny.pdb)
Do this in an xterm
module purge
module load amber/10
./xleap &

Fix the PDB to match amber based upon these files:
${AMBERHOME}/dat/leap/lib/all_amino94.lib     ("normal" amino acids)
${AMBERHOME}/dat/leap/lib/all_aminont94.lib   (N terminating)
${AMBERHOME}/dat/leap/lib/all_aminoct94.lib   (C terminating)
Until all atoms are correctly named when you type:
tiny = loadPdb tiny.pdb on the xleap command line
For example, I had to change CD to CD1 in ILE

You may have to "edit tiny" to set atom types, add bonds, set charges, etc.  I
had to do that with ethane (there was nothing in the default libraries, because
it is not an amino acid).
To add bonds, you must be in "draw" mode

Once you think you are done, type this in the xleap command line:
check tiny

If all is well then save it as tiny2  (note this this is new name, since we 'fixed' things).
savePdb tiny tiny2.pdb
saveOff tiny tiny2.lib
saveAmberParm tiny tiny2.top tiny2.cor

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Hints for NWChem runs:
The atoms might need changed to match *.frg files for NWChem
This is why the pdb files might not be the same for amber and NWChem

