This is an Ethane 4 plus ion, that NWChem generates new data for

NWChem input file:
ethplus.nw   - nwchem input deck

Amber input files:
ethplus_am.in   - amber input deck
ethplus_am.cor  - coordinates
ethplus_am.top  - topology file

NWChem output files:
ethplus.zmat
ethplus.p
ethplus.nam
ethplus.movecs
ethplus.c
ethplus.b^-1
ethplus.b
ethplus.xyz
ethplus.top
ethplus.seq
ethplus.q
ethplus.plt
ethplus_md.rst
ethplus_md.cmd
ethplus.grid
ethplus_energy.out
ethplus.bsg
ethpl.sgm
ethpl.frg
ethplus.out
ethplus_md.qrs
ethplus_md.out
ethplus.db

Amber output files:
mdinfo
ethplus_am.rst
ethplus_am.out

Results from *.out files:
1.471673291E+03  kJ/mol NWChem single point (3.5174E+02 kcal/mol)
1.38277E+03      kJ/mol NWChem step 25 (3.3049E+02 kcal/mol)
3.5181E+02   kcal/mol Amber single point
3.3048E+02   kcal/mol Amber step 400
Note that NWChem and Amber match both optimized and initial

