remd with homol_nset>1 working with FG parallelization

[unres.git] / source / unres / src_MD / convert.f

diff --git a/source/unres/src_MD/convert.f b/source/unres/src_MD/convert.f
index dc0cccd..9cb5741 100644 (file)
--- a/source/unres/src_MD/convert.f
+++ b/source/unres/src_MD/convert.f
@@ -15,7 +15,8 @@ C
       include 'COMMON.GEO'
       include 'COMMON.CHAIN'
       double precision x(n)
-cd    print *,'nres',nres,' nphi',nphi,' ntheta',ntheta,' nvar',nvar
+c      print *,'nres',nres,' nphi',nphi,' ntheta',ntheta,' nvar',nvar
+c      print *,"n",n
       do i=4,nres
         x(i-3)=phi(i)
 cd      print *,i,i-3,phi(i)
@@ -28,9 +29,9 @@ cd      print *,i,i-2+nphi,theta(i)
       if (n.eq.nphi+ntheta) return
       do i=2,nres-1
        if (ialph(i,1).gt.0) then
+c          print *,i,ialph(i,1),ialph(i,1)+nside,alph(i),omeg(i)
          x(ialph(i,1))=alph(i)
          x(ialph(i,1)+nside)=omeg(i)
-cd        print *,i,ialph(i,1),ialph(i,1)+nside,alph(i),omeg(i)
         endif
       enddo      
       return