X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Fdiff12.f;fp=source%2Funres%2Fsrc_CSA_DiL%2Fdiff12.f;h=0000000000000000000000000000000000000000;hp=13de22e7f3d4d15b9413b0bbcf747aa47f3bcb2d;hb=de4bc5453ea46e111d936cb85e1758ed21c08fcd;hpb=b75425747e3e2b448ca5e0ef8367712e1f339124

diff --git a/source/unres/src_CSA_DiL/diff12.f b/source/unres/src_CSA_DiL/diff12.f
deleted file mode 100644
index 13de22e..0000000
--- a/source/unres/src_CSA_DiL/diff12.f
+++ /dev/null
@@ -1,82 +0,0 @@
-cccccccccccccccccccccccccccccccccc
-      subroutine get_diff12(aarray,barray,diff)
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'COMMON.CSA'
-      include 'COMMON.BANK'
-      include 'COMMON.CHAIN'
-      include 'COMMON.GEO'
-      include 'COMMON.INTERACT'
-      include 'COMMON.VAR'
-      dimension aarray(mxang,maxres,mxch),
-     & barray(mxang,maxres,mxch)
-      real x1(maxres),y1(maxres),z1(maxres)
-      integer n_1(maxres),L1
-      real x2(maxres),y2(maxres),z2(maxres)
-      integer n_2(maxres),L2
-      real TM,Rcomm
-      integer Lcomm
-
-
-      IF(tm_score) THEN
-
-      do k=1,numch
-       do j=2,nres-1
-        theta(j+1)=barray(1,j,k)
-        phi(j+2)=barray(2,j,k)
-        alph(j)=barray(3,j,k)
-        omeg(j)=barray(4,j,k)
-       enddo
-      enddo
-      call chainbuild
-      L1=0
-      do i=nnt,nct
-        L1=L1+1
-         n_1(L1)=L1
-         x1(L1)=c(1,i)
-         y1(L1)=c(2,i)
-         z1(L1)=c(3,i)
-      enddo
-
-      do k=1,numch
-       do j=2,nres-1
-        theta(j+1)=aarray(1,j,k)
-        phi(j+2)=aarray(2,j,k)
-        alph(j)=aarray(3,j,k)
-        omeg(j)=aarray(4,j,k)
-       enddo
-      enddo
-      call chainbuild
-      L2=0
-      do i=nnt,nct
-        L2=L2+1
-         n_2(L2)=L2
-         x2(L2)=c(1,i)
-         y2(L2)=c(2,i)
-         z2(L2)=c(3,i)
-      enddo
-
-      call TMscore(L1,x1,y1,z1,n_1,L2,x2,y2,z2,n_2,TM,Rcomm,Lcomm)
-      diff=1.0d0-TM
-
-cd      write(*,*)'TMscore=',TM,diff
-cd      write(*,*)'Number of residues in common=',Lcomm
-cd      write(*,*)'RMSD of the common residues=',Rcomm
-
-      ELSE
-      diff=0.d0
-      do k=1,numch
-       do j=2,nres-1
-c       do i=1,4
-c        do i=1,2
-        do i=1,ndiff
-         dif=rad2deg*dabs(aarray(i,j,k)-barray(i,j,k))
-         if(dif.gt.180.) dif=360.-dif
-         if (dif.gt.diffcut) diff=diff+dif
-        enddo
-       enddo
-      enddo
-      ENDIF
-      return
-      end
-ccccccccccccccccccccccccccccccccccccccccccccccccc