new ff correction

diff --git a/files/pbs8_new.csh b/files/pbs8_new.csh
index 0382652..241de6e 100755 (executable)
--- 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

diff --git a/files/pbs_md_new.csh b/files/pbs_md_new.csh
index 6a678a8..177085f 100755 (executable)
--- a/files/pbs_md_new.csh
+++ b/files/pbs_md_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

diff --git a/files/pbs_new.csh b/files/pbs_new.csh
index 5d733f6..45f19fd 100755 (executable)
--- a/files/pbs_new.csh
+++ b/files/pbs_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