debug off
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Mon, 12 Oct 2015 09:11:08 +0000 (11:11 +0200)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Mon, 12 Oct 2015 09:11:08 +0000 (11:11 +0200)
source/unres/src_MD-M/rmsd.F

index 58c4a1b..907d448 100644 (file)
@@ -43,7 +43,7 @@ c---------------------------------------------------------------------------
       rminroz=100d2
 c      print *,"nz_start",nz_start," nz_end",nz_end
 c      if (symetr.le.1) then
-       print *,nperm,"nperm"
+C       print *,nperm,"nperm"
       do kkk=1,nperm
 c      do i=nz_start,nz_end
 c        iatom=iatom+1
@@ -83,11 +83,11 @@ c      endif
       
 c ----- diagnostics
 C         do kkk=1,nperm
-          write (iout,*) 'Ccopy and CREFcopy adasko',iatom
-          print '(i5,3f10.5,5x,3f10.5)',(k,(ccopy(j,k),j=1,3),
-     &           (crefcopy(j,k),j=1,3),k=1,iatom)
-          write (iout,'(i5,3f10.5,5x,3f10.5)') (k,(ccopy(j,k),j=1,3),
-     &           (crefcopy(j,k),j=1,3),k=1,iatom)
+C          write (iout,*) 'Ccopy and CREFcopy adasko',iatom
+C          print '(i5,3f10.5,5x,3f10.5)',(k,(ccopy(j,k),j=1,3),
+C     &           (crefcopy(j,k),j=1,3),k=1,iatom)
+C          write (iout,'(i5,3f10.5,5x,3f10.5)') (k,(ccopy(j,k),j=1,3),
+C     &           (crefcopy(j,k),j=1,3),k=1,iatom)
 C         enddo
 Cc ----- end diagnostics
 c      do kkk=1,nperm
@@ -109,7 +109,7 @@ c          call mpi_abort(mpi_comm_world,ierror,ierrcode)
           stop
 #endif
        endif
-       write (iout,*) "roznica", roznica,kkk
+C       write (iout,*) "roznica", roznica,kkk
        if (roznica.le.rminroz) rminroz=roznica
        enddo
        drms=dsqrt(dabs(rminroz))