dissulfides energy and gfortran ctests

[unres.git] / source / unres / src_MD / contact.f

diff --git a/source/unres/src_MD/contact.f b/source/unres/src_MD/contact.f
index 24b11d6..ebd1126 100644 (file)
--- a/source/unres/src_MD/contact.f
+++ b/source/unres/src_MD/contact.f
@@ -12,9 +12,9 @@
       ncont=0
       kkk=3
       do i=nnt+kkk,nct
-        iti=iabs(itype(i))
+        iti=itype(i)
         do j=nnt,i-kkk
-          itj=iabs(itype(j))
+          itj=itype(j)
           if (ipot.ne.4) then
 c           rcomp=sigmaii(iti,itj)+1.0D0
             rcomp=facont*sigmaii(iti,itj)
@@ -175,7 +175,7 @@ c      do i=1,nharp
 c            write (iout,*)'i',i,' iharp',(iharp(k,i),k=1,4)
 c      enddo
       if (lprint) then
-      write (iout,*) "Hairpins:"
+      write (iout,*) "Hairpins:",nharp
       do i=1,nharp
         i1=iharp(1,i)
         j1=iharp(2,i)