correction to last commit with DIST2_CUT

diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F
index 6b59d69..94dbea7 100644 (file)
--- a/source/unres/src_MD/readrtns.F
+++ b/source/unres/src_MD/readrtns.F
@@ -2581,7 +2581,7 @@ c      call flush(iout)
       call readi(controlcard,"NPAIR",npair_,0)
       call readi(controlcard,"NDIST",ndist_,0)
       call reada(controlcard,'DIST_CUT',dist_cut,5.0d0)
-      call reada(controlcard,'DIST2_CUT',dist2_cut,9999.0d0)
+
       call multreadi(controlcard,"IFRAG",ifrag_(1,1),2*nfrag_,0)
       call multreadi(controlcard,"IPAIR",ipair_(1,1),2*npair_,0)
       call multreada(controlcard,"WFRAG",wfrag_(1),nfrag_,0.0d0)
@@ -2759,7 +2759,7 @@ c Alternative: reading from input
       call reada(controlcard,"HOMOL_THETA",waga_theta,1.0d0) ! new
       call reada(controlcard,"HOMOL_SCD",waga_d,1.0d0) ! new
       call reada(controlcard,'DIST_CUT',dist_cut,5.0d0) ! for diff ways of calc sigma
- 
+      call reada(controlcard,'DIST2_CUT',dist2_cut,9999.0d0)
       call readi(controlcard,"HOMOL_NSET",homol_nset,1)       
       read2sigma=(index(controlcard,'READ2SIGMA').gt.0)
       start_from_model=(index(controlcard,'START_FROM_MODELS').gt.0)
@@ -2890,7 +2890,7 @@ c           write(iout,*) "rescore(",k,irec,") =",rescore(k,irec)
               y12=c(2,i)-c(2,j)
               z12=c(3,i)-c(3,j)
               distal=dsqrt(x12*x12+y12*y12+z12*z12) 
-
+              write (iout,*) k,i,j,distal,dist2_cut
 
             if (idomain(k,i).eq.idomain(k,j).and.idomain(k,i).ne.0
      &            .and. distal.le.dist2_cut ) then