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--- nwchemrc	2011-12-04 11:29:37.000000000 +0100
+++ nwchemrc	2011-12-04 11:29:26.000000000 +0100
@@ -0,0 +1,10 @@
+nwchem_basis_library /usr/share/NWChem/basis/libraries/
+nwchem_nwpw_library /usr/share/NWChem/nwpw/libraryps/
+ffield amber
+amber_1 /usr/share/NWChem/data/amber_s/
+amber_2 /usr/share/NWChem/data/amber_q/
+amber_3 /usr/share/NWChem/data/amber_x/
+amber_4 /usr/share/NWChem/data/amber_u/
+spce    /usr/share/NWChem/data/solvents/spce.rst
+charmm_s /usr/share/NWChem/data/charmm_s/
+charmm_x /usr/share/NWChem/data/charmm_x/