X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fcheckder_p.F;fp=source%2Funres%2Fsrc-HCD-5D%2Fcheckder_p.F;h=e1448dba018fe6ee4e4f1695c11f7572fb84a854;hb=f9783c27de185ff3e1d6e874a37a1a8c4d3c93a3;hp=48eeddaafd2e6a532da2e8d8f73ecf8d5b98308c;hpb=3d04f1babd4ae90f9a0b8f256a2ce0a2c5751f33;p=unres.git

diff --git a/source/unres/src-HCD-5D/checkder_p.F b/source/unres/src-HCD-5D/checkder_p.F
index 48eedda..e1448db 100644
--- 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