5D update

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

diff --git a/source/unres/src-HCD-5D/lagrangian_lesyng.F b/source/unres/src-HCD-5D/lagrangian_lesyng.F
index f57a432..4230e10 100644 (file)
--- a/source/unres/src-HCD-5D/lagrangian_lesyng.F
+++ b/source/unres/src-HCD-5D/lagrangian_lesyng.F
@@ -895,6 +895,7 @@ c---------------------------------------------------------------------------
       double precision forces(3*ndim),accel(3,0:maxres2),rs(ndim),
      &  xsolv(ndim),d_a_vec(6*nres)
       integer i,j,ind,ichain,n,iposc,innt,inct,inct_prev
+      accel=0.0d0
       do j=1,3
 Compute accelerations in Calpha and SC
         do ichain=1,nchain
@@ -919,7 +920,7 @@ Compute accelerations in Calpha and SC
           enddo
         enddo
       enddo
-C Conevert d_a to virtual-bon-vector basis
+C Convert d_a to virtual-bon-vector basis
 #ifdef DEBUG
       write (iout,*) "accel in CA-SC basis"
       do i=1,nres
@@ -944,6 +945,7 @@ C Conevert d_a to virtual-bon-vector basis
         end if
       enddo
       accel(:,nres)=0.0d0
+      accel(:,nct)=0.0d0
       accel(:,2*nres)=0.0d0
       if (nnt.gt.1) then
         accel(:,0)=accel(:,1)