X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Fpbs8_new.csh;h=241de6e8d63b9290d0fc23c7faaff21c768889b1;hb=da9ea164914b44f37b8fa630472280273156357e;hp=0382652d94a24edb24d09c9b8c08d4304dd23bcb;hpb=533934d3ce690cbee495617d193c7560960e55d5;p=django_unres.git diff --git a/files/pbs8_new.csh b/files/pbs8_new.csh index 0382652..241de6e 100755 --- a/files/pbs8_new.csh +++ b/files/pbs8_new.csh @@ -12,7 +12,7 @@ setenv THETPARPDB $DD/thetaml_ext.5parm setenv ROTPARPDB $DD/scgauss_ext.parm setenv ROTPAR $DD/rotamers_AM1_aura_ext.10022007.parm setenv TORPAR $DD/tor_opt_iter1_7p_old-ext.parm -setenv TORDPAR $DD/pot_tord_G631_DIL_ext.parm +setenv TORDPAR $DD/torsion_double_631Gdp_old_ext.parm setenv ELEPAR $DD/electr_631Gdp_ext.parm setenv SIDEPAR $DD/sc_GB_opt_iter1_7p_old-ext_lip.parm setenv FOURIER $DD/fourier_opt_iter1_7p_old-ext.parm