X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-newcorr%2Fdiff12.f;fp=source%2Funres%2Fsrc_MD-M-newcorr%2Fdiff12.f;h=3d347ed76f6232e9d505a9c976e34337b952a296;hb=e74a1da46f47c86b0c46679481b757c425642977;hp=0000000000000000000000000000000000000000;hpb=d0bc9ab44e8f75f5cb92a01cda9daba97791e379;p=unres.git

diff --git a/source/unres/src_MD-M-newcorr/diff12.f b/source/unres/src_MD-M-newcorr/diff12.f
new file mode 100644
index 0000000..3d347ed
--- /dev/null
+++ b/source/unres/src_MD-M-newcorr/diff12.f
@@ -0,0 +1,27 @@
+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'
+      dimension aarray(mxang,maxres,mxch),
+     & barray(mxang,maxres,mxch)
+
+      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
+
+      return
+      end
+ccccccccccccccccccccccccccccccccccccccccccccccccc