ctest dfa and homology

[unres.git] / ctest / dfa / checkgrad_dfa.inp

diff --git a/ctest/dfa/checkgrad_dfa.inp b/ctest/dfa/checkgrad_dfa.inp
new file mode 100644 (file)
index 0000000..31789a3
--- /dev/null
+++ b/ctest/dfa/checkgrad_dfa.inp
@@ -0,0 +1,24 @@
+dfa checkgrad cart
+SEED=-3059743 rescale_mode=2 one_letter PDBSTART timlim=2800.0                 &
+CONSTR_HOMOL=8 PDBREF REFSTR checkgrad cart
+WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
+WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
+WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0                                       &
+CUTOFF=7.00000 WCORR4=0.00000
+./model01.pdb
+0
+0
+HOMOL_DIST=0.50 HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0    &
+READ2SIGMA START_FROM_MODELS
+model01.pdb
+model02.pdb
+model03.pdb
+model04.pdb
+model05.pdb
+model06.pdb
+model07.pdb
+model08.pdb
+0 0 0 0
+300.0