Merge branch 'devel' into AFM

[unres.git] / source / wham / src-NEWSC / setup_var.f

diff --git a/source/wham/src-NEWSC/setup_var.f b/source/wham/src-NEWSC/setup_var.f
new file mode 100755 (executable)
index 0000000..f052400
--- /dev/null
+++ b/source/wham/src-NEWSC/setup_var.f
@@ -0,0 +1,31 @@
+      subroutine setup_var
+      implicit real*8 (a-h,o-z)
+      include 'DIMENSIONS'
+      include 'DIMENSIONS.ZSCOPT'
+      include 'COMMON.IOUNITS'
+      include 'COMMON.GEO'
+      include 'COMMON.VAR'
+      include 'COMMON.CHAIN'
+      include 'COMMON.INTERACT'
+C Set up variable list.
+      ntheta=nres-2
+      nphi=nres-3
+      nvar=ntheta+nphi
+      nside=0
+      do i=2,nres-1
+        if (itype(i).ne.10) then
+         nside=nside+1
+          ialph(i,1)=nvar+nside
+         ialph(nside,2)=i
+        endif
+      enddo
+      if (indphi.gt.0) then
+        nvar=nphi
+      else if (indback.gt.0) then
+        nvar=nphi+ntheta
+      else
+        nvar=nvar+2*nside
+      endif
+cd    write (iout,'(3i4)') (i,ialph(i,1),ialph(i,2),i=2,nres-1)
+      return
+      end