X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Flagrangian_lesyng.F;h=11806459d9dbbe6e14e11bfb54794d9e45a68c34;hb=668a6244b981f429f4498f3b8e0ab34ab35d3984;hp=4230e10f84db3b7564511a55ce88a1d41a403eff;hpb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;p=unres.git

diff --git a/source/unres/src-HCD-5D/lagrangian_lesyng.F b/source/unres/src-HCD-5D/lagrangian_lesyng.F
index 4230e10..1180645 100644
--- a/source/unres/src-HCD-5D/lagrangian_lesyng.F
+++ b/source/unres/src-HCD-5D/lagrangian_lesyng.F
@@ -891,6 +891,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.IOUNITS'
       include 'COMMON.LAGRANGE.5diag'
       include 'COMMON.INTERACT'
+      include 'COMMON.VAR'
       integer ndim
       double precision forces(3*ndim),accel(3,0:maxres2),rs(ndim),
      &  xsolv(ndim),d_a_vec(6*nres)
@@ -904,9 +905,18 @@ Compute accelerations in Calpha and SC
           innt=chain_border(1,ichain)
           inct=chain_border(2,ichain)
           do i=iposc,iposc+n-1
-            rs(i)=forces(3*(i-1)+j)
+            rs(i-iposc+1)=forces(3*(i-1)+j)
           enddo
+#ifdef DEBUG
+          write (iout,*) "j",j," chain",ichain
+          write (iout,*) "rs"
+          write (iout,'(f10.5)') (rs(i),i=1,n)
+#endif
           call FDISYS (n,DM(iposc),DU1(iposc),DU2(iposc),rs,xsolv)
+#ifdef DEBUG
+          write (iout,*) "xsolv"
+          write (iout,'(f10.5)') (xsolv(i),i=1,n)
+#endif
           ind=1
           do i=innt,inct
             if (itype(i).eq.10)then
@@ -988,7 +998,7 @@ C Convert d_a to virtual-bon-vector basis
       enddo
 #ifdef DEBUG
       write (iout,*) "d_a_vec"
-      write (iout,'(3f10.5)') (d_a_vec(j),j=1,dimen3)
+      write (iout,'(3f10.5)') (d_a_vec(j),j=1,3*(nct-nnt+nside))
 #endif
       return
       end