ctest dfa newcorr

[unres.git] / source / unres / src_MD-M / initialize_p.F

diff --git a/source/unres/src_MD-M/initialize_p.F b/source/unres/src_MD-M/initialize_p.F
index 6c5f4eb..15f1e19 100644 (file)
--- a/source/unres/src_MD-M/initialize_p.F
+++ b/source/unres/src_MD-M/initialize_p.F
@@ -630,12 +630,13 @@ c     &  " ivec_start",ivec_start," ivec_end",ivec_end
         call int_bounds(ndih_constr,idihconstr_start,idihconstr_end)
       endif
       if (ntheta_constr.eq.0) then
-        idihconstr_start=1
-        idihconstr_end=0
+        ithetaconstr_start=1
+        ithetaconstr_end=0
       else
         call int_bounds
      &  (ntheta_constr,ithetaconstr_start,ithetaconstr_end)
       endif
+C        print *,ntheta_constr,ithetaconstr_start,ithetaconstr_end
 c      nsumgrad=(nres-nnt)*(nres-nnt+1)/2
 c      nlen=nres-nnt+1
       nsumgrad=(nres-nnt)*(nres-nnt+1)/2
@@ -670,7 +671,7 @@ c      nlen=nres-nnt+1
      & ' ivec_start',ivec_start,' ivec_end',ivec_end,
      & ' iset_start',iset_start,' iset_end',iset_end,
      & ' idihconstr_start',idihconstr_start,' idihconstr_end',
-     &   idihconstr_end
+     &   idihconstr_end,
      & ' ithetaconstr_start',ithetaconstr_start,' ithetaconstr_end',
      &   ithetaconstr_end