diff options
Diffstat (limited to 'nwchemrc')
| -rw-r--r-- | nwchemrc | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/nwchemrc b/nwchemrc new file mode 100644 index 000000000000..f1928605952e --- /dev/null +++ b/nwchemrc @@ -0,0 +1,10 @@ +nwchem_basis_library /usr/share/nwchem/libraries/ +nwchem_nwpw_library /usr/share/nwchem/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/ |