X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fcontact.f;h=e481284b170d23ee2812e18ab46ca43add38d8d9;hb=058b4e72d61c149f66570d580bda9b47464d9df6;hp=40ed61ddfe3f60bc1927b7709f544b83574de6f1;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/wham/src-M/contact.f b/source/wham/src-M/contact.f
index 40ed61d..e481284 100644
--- a/source/wham/src-M/contact.f
+++ b/source/wham/src-M/contact.f
@@ -2,6 +2,7 @@
       implicit none
       include 'DIMENSIONS'
       include 'DIMENSIONS.ZSCOPT'
+      include 'DIMENSIONS.FREE'
       include 'COMMON.CONTROL'
       include 'COMMON.IOUNITS'
       include 'COMMON.CHAIN'
@@ -29,10 +30,10 @@
       endif
   110 format (a,'(',i3,')',9f8.3)
       do i=ist,ien-kkk
-        iti=itype(i)
+        iti=iabs(itype(i))
         if (iti.le.0 .or. iti.gt.ntyp) cycle
         do j=i+kkk,ien
-          itj=itype(j)
+          itj=iabs(itype(j))
           if (itj.le.0 .or. itj.gt.ntyp) cycle
           itypi=iti
           itypj=itj
@@ -94,7 +95,7 @@ c     &       csc
           it2=itype(i2)
           write (iout,'(i3,2x,a,i4,2x,a,i4,5f8.3,3f10.5)') 
      &     i,restyp(it1),i1,restyp(it2),i2,cscore(i),
-     &     sc_cutoff(it1,it2),ddsc(i),ddla(i),ddlb(i),
+     &     sc_cutoff(iabs(it1),iabs(it2)),ddsc(i),ddla(i),ddlb(i),
      &     omt1(i),omt2(i),omt12(i)
         enddo
       endif