Adam's lipid and dfa corrections

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

diff --git a/source/unres/src-HCD-5D/readrtns_CSA.F b/source/unres/src-HCD-5D/readrtns_CSA.F
index f120ec7..da28aa3 100644 (file)
--- a/source/unres/src-HCD-5D/readrtns_CSA.F
+++ b/source/unres/src-HCD-5D/readrtns_CSA.F
@@ -1215,8 +1215,6 @@ c      write (iout,*) "After read_dist_constr nhpb",nhpb
 
 
 C      endif
-c      write (iout,*) "iranconf",iranconf," extconf",extconf,
-c     & " start_from_models",start_from_model
       if (indpdb.eq.0 .and. modecalc.ne.2 .and. modecalc.ne.4
      &    .and. modecalc.ne.8 .and. modecalc.ne.9 .and. 
      &    modecalc.ne.10) then
@@ -1230,11 +1228,16 @@ C initial geometry.
             read(inp,'(8f10.5)',end=36,err=36)
      &       ((c(l,k),l=1,3),k=1,nres),
      &       ((c(l,k+nres),l=1,3),k=nnt,nct)
+            if (nnt.gt.1) c(:,nres+1)=c(:,1)
+            if (nct.lt.nres) c(:,2*nres)=c(:,nres)
 c            write (iout,*) "Exit READ_CART"
 c            write (iout,'(8f10.5)') 
 c     &       ((c(l,k),l=1,3),k=1,nres),
 c     &       ((c(l,k+nres),l=1,3),k=nnt,nct)
             call cartprint
+            do j=1,3
+              dc(j,0)=c(j,1)
+            enddo
             do i=1,nres-1
               do j=1,3
                 dc(j,i)=c(j,i+1)-c(j,i)