X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fsrc%2Fdiff12.f;fp=source%2Funres%2Fsrc_MD%2Fsrc%2Fdiff12.f;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=3d347ed76f6232e9d505a9c976e34337b952a296;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/source/unres/src_MD/src/diff12.f b/source/unres/src_MD/src/diff12.f deleted file mode 100644 index 3d347ed..0000000 --- a/source/unres/src_MD/src/diff12.f +++ /dev/null @@ -1,27 +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' - 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