Adam's lipid and dfa corrections

[unres.git] / source / unres / src-HCD-5D / checkder_p.F

diff --git a/source/unres/src-HCD-5D/checkder_p.F b/source/unres/src-HCD-5D/checkder_p.F
index 48eedda..e1448db 100644 (file)
--- a/source/unres/src-HCD-5D/checkder_p.F
+++ b/source/unres/src-HCD-5D/checkder_p.F
@@ -132,6 +132,7 @@ c      aincr=8.0D-7
 c      aincr=1.0D-7
       print '("Calling CHECK_ECARTINT",1pd12.3)',aincr
       write (iout,'("Calling CHECK_ECARTINT",1pd12.3)') aincr
+      call cartprint
       nf=0
       icall=0
       call geom_to_var(nvar,x)
@@ -212,6 +213,14 @@ c        call flush(iout)
           enddo
         enddo
       endif
+c      write (iout,*) "Vector dc"
+c      do i=0,nres
+c        write (iout,'(i5,2(3f10.5,5x))')
+c     &     i,(dc(j,i),j=1,3),(dc(j,i+nres),j=1,3)
+c      enddo
+c      write (iout,*) "Coordinates after chainbuild_cart"
+c      call chainbuild_cart
+c      call cartprint
       write (iout,'(/a/)') 'Gradient in virtual-bond and SC vectors'
       do i=0,nres
         print *,i