ctest ref files and values

[unres.git] / ctest / dfa_newcorr / dfa_wham.inp

diff --git a/ctest/dfa_newcorr/dfa_wham.inp b/ctest/dfa_newcorr/dfa_wham.inp
index f01ff92..cf95ea8 100644 (file)
--- a/ctest/dfa_newcorr/dfa_wham.inp
+++ b/ctest/dfa_newcorr/dfa_wham.inp
@@ -1,4 +1,4 @@
-SEED=-3059743          isampl=1  nparmset=1 nq=1                 einicheck=1   &
+SEED=-3059743          isampl=1  nparmset=1 nq=1 classify        einicheck=1   &
 rescale=2 ensembles=0 cxfile delta=0.02 nslice=1 CONSTR_HOMOL=8 tormode=2
 WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0                                       &
 nres=77 one_letter
@@ -40,3 +40,5 @@ NR=1  TEMP= 390.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
 KH= 0.0   Q0= 0.0
 nfile_cx=1 rec_start=2 rec_end=200 totraj=8
 remd_dfa_MD000
+pdbref
+model01.pdb