--- 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/data/libraries/ +nwchem_nwpw_library /usr/share/NWChem/data/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/