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diff --git a/source/unres/src_MD_DFA/surfatom.f b/source/unres/src_MD_DFA/surfatom.f
deleted file mode 100644
index 9974842..0000000
--- a/source/unres/src_MD_DFA/surfatom.f
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@@ -1,494 +0,0 @@
-c
-c
-c     ###################################################
-c     ##  COPYRIGHT (C)  1996  by  Jay William Ponder  ##
-c     ##              All Rights Reserved              ##
-c     ###################################################
-c
-c     ################################################################
-c     ##                                                            ##
-c     ##  subroutine surfatom  --  exposed surface area of an atom  ##
-c     ##                                                            ##
-c     ################################################################
-c
-c
-c     "surfatom" performs an analytical computation of the surface
-c     area of a specified atom; a simplified version of "surface"
-c
-c     literature references:
-c
-c     T. J. Richmond, "Solvent Accessible Surface Area and
-c     Excluded Volume in Proteins", Journal of Molecular Biology,
-c     178, 63-89 (1984)
-c
-c     L. Wesson and D. Eisenberg, "Atomic Solvation Parameters
-c     Applied to Molecular Dynamics of Proteins in Solution",
-c     Protein Science, 1, 227-235 (1992)
-c
-c     variables and parameters:
-c
-c     ir       number of atom for which area is desired
-c     area     accessible surface area of the atom
-c     radius   radii of each of the individual atoms
-c
-c
-      subroutine surfatom (ir,area,radius) 
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'sizes.i'
-      include 'COMMON.GEO'
-      include 'COMMON.IOUNITS'
-      integer nres,nsup,nstart_sup
-      double precision c,dc,dc_old,d_c_work,xloc,xrot,dc_norm
-      common /chain/ c(3,maxres2+2),dc(3,0:maxres2),dc_old(3,0:maxres2),
-     & xloc(3,maxres),xrot(3,maxres),dc_norm(3,0:maxres2),
-     & dc_work(MAXRES6),nres,nres0
-      integer maxarc
-      parameter (maxarc=300)
-      integer i,j,k,m
-      integer ii,ib,jb
-      integer io,ir
-      integer mi,ni,narc
-      integer key(maxarc)
-      integer intag(maxarc)
-      integer intag1(maxarc)
-      real*8 area,arcsum
-      real*8 arclen,exang
-      real*8 delta,delta2
-      real*8 eps,rmove
-      real*8 xr,yr,zr
-      real*8 rr,rrsq
-      real*8 rplus,rminus
-      real*8 axx,axy,axz
-      real*8 ayx,ayy
-      real*8 azx,azy,azz
-      real*8 uxj,uyj,uzj
-      real*8 tx,ty,tz
-      real*8 txb,tyb,td
-      real*8 tr2,tr,txr,tyr
-      real*8 tk1,tk2
-      real*8 thec,the,t,tb
-      real*8 txk,tyk,tzk
-      real*8 t1,ti,tf,tt
-      real*8 txj,tyj,tzj
-      real*8 ccsq,cc,xysq
-      real*8 bsqk,bk,cosine
-      real*8 dsqj,gi,pix2
-      real*8 therk,dk,gk
-      real*8 risqk,rik
-      real*8 radius(maxatm)
-      real*8 ri(maxarc),risq(maxarc)
-      real*8 ux(maxarc),uy(maxarc),uz(maxarc)
-      real*8 xc(maxarc),yc(maxarc),zc(maxarc)
-      real*8 xc1(maxarc),yc1(maxarc),zc1(maxarc)
-      real*8 dsq(maxarc),bsq(maxarc)
-      real*8 dsq1(maxarc),bsq1(maxarc)
-      real*8 arci(maxarc),arcf(maxarc)
-      real*8 ex(maxarc),lt(maxarc),gr(maxarc)
-      real*8 b(maxarc),b1(maxarc),bg(maxarc)
-      real*8 kent(maxarc),kout(maxarc)
-      real*8 ther(maxarc)
-      logical moved,top
-      logical omit(maxarc)
-c
-c
-c     zero out the surface area for the sphere of interest
-c
-      area = 0.0d0
-c      write (2,*) "ir",ir," radius",radius(ir)
-      if (radius(ir) .eq. 0.0d0)  return
-c
-c     set the overlap significance and connectivity shift
-c
-      pix2 = 2.0d0 * pi
-      delta = 1.0d-8
-      delta2 = delta * delta
-      eps = 1.0d-8
-      moved = .false.
-      rmove = 1.0d-8
-c
-c     store coordinates and radius of the sphere of interest
-c
-      xr = c(1,ir)
-      yr = c(2,ir)
-      zr = c(3,ir)
-      rr = radius(ir)
-      rrsq = rr * rr
-c
-c     initialize values of some counters and summations
-c
-   10 continue
-      io = 0
-      jb = 0
-      ib = 0
-      arclen = 0.0d0
-      exang = 0.0d0
-c
-c     test each sphere to see if it overlaps the sphere of interest
-c
-      do i = 1, 2*nres
-         if (i.eq.ir .or. radius(i).eq.0.0d0)  goto 30
-         rplus = rr + radius(i)
-         tx = c(1,i) - xr
-         if (abs(tx) .ge. rplus)  goto 30
-         ty = c(2,i) - yr
-         if (abs(ty) .ge. rplus)  goto 30
-         tz = c(3,i) - zr
-         if (abs(tz) .ge. rplus)  goto 30
-c
-c     check for sphere overlap by testing distance against radii
-c
-         xysq = tx*tx + ty*ty
-         if (xysq .lt. delta2) then
-            tx = delta
-            ty = 0.0d0
-            xysq = delta2
-         end if
-         ccsq = xysq + tz*tz
-         cc = sqrt(ccsq)
-         if (rplus-cc .le. delta)  goto 30
-         rminus = rr - radius(i)
-c
-c     check to see if sphere of interest is completely buried
-c
-         if (cc-abs(rminus) .le. delta) then
-            if (rminus .le. 0.0d0)  goto 170
-            goto 30
-         end if
-c
-c     check for too many overlaps with sphere of interest
-c
-         if (io .ge. maxarc) then
-            write (iout,20)
-   20       format (/,' SURFATOM  --  Increase the Value of MAXARC')
-            stop
-         end if
-c
-c     get overlap between current sphere and sphere of interest
-c
-         io = io + 1
-         xc1(io) = tx
-         yc1(io) = ty
-         zc1(io) = tz
-         dsq1(io) = xysq
-         bsq1(io) = ccsq
-         b1(io) = cc
-         gr(io) = (ccsq+rplus*rminus) / (2.0d0*rr*b1(io))
-         intag1(io) = i
-         omit(io) = .false.
-   30    continue
-      end do
-c
-c     case where no other spheres overlap the sphere of interest
-c
-      if (io .eq. 0) then
-         area = 4.0d0 * pi * rrsq
-         return
-      end if
-c
-c     case where only one sphere overlaps the sphere of interest
-c
-      if (io .eq. 1) then
-         area = pix2 * (1.0d0 + gr(1))
-         area = mod(area,4.0d0*pi) * rrsq
-         return
-      end if
-c
-c     case where many spheres intersect the sphere of interest;
-c     sort the intersecting spheres by their degree of overlap
-c
-      call sort2 (io,gr,key)
-      do i = 1, io
-         k = key(i)
-         intag(i) = intag1(k)
-         xc(i) = xc1(k)
-         yc(i) = yc1(k)
-         zc(i) = zc1(k)
-         dsq(i) = dsq1(k)
-         b(i) = b1(k)
-         bsq(i) = bsq1(k)
-      end do
-c
-c     get radius of each overlap circle on surface of the sphere
-c
-      do i = 1, io
-         gi = gr(i) * rr
-         bg(i) = b(i) * gi
-         risq(i) = rrsq - gi*gi
-         ri(i) = sqrt(risq(i))
-         ther(i) = 0.5d0*pi - asin(min(1.0d0,max(-1.0d0,gr(i))))
-      end do
-c
-c     find boundary of inaccessible area on sphere of interest
-c
-      do k = 1, io-1
-         if (.not. omit(k)) then
-            txk = xc(k)
-            tyk = yc(k)
-            tzk = zc(k)
-            bk = b(k)
-            therk = ther(k)
-c
-c     check to see if J circle is intersecting K circle;
-c     get distance between circle centers and sum of radii
-c
-            do j = k+1, io
-               if (omit(j))  goto 60
-               cc = (txk*xc(j)+tyk*yc(j)+tzk*zc(j))/(bk*b(j))
-               cc = acos(min(1.0d0,max(-1.0d0,cc)))
-               td = therk + ther(j)
-c
-c     check to see if circles enclose separate regions
-c
-               if (cc .ge. td)  goto 60
-c
-c     check for circle J completely inside circle K
-c
-               if (cc+ther(j) .lt. therk)  goto 40
-c
-c     check for circles that are essentially parallel
-c
-               if (cc .gt. delta)  goto 50
-   40          continue
-               omit(j) = .true.
-               goto 60
-c
-c     check to see if sphere of interest is completely buried
-c
-   50          continue
-               if (pix2-cc .le. td)  goto 170
-   60          continue
-            end do
-         end if
-      end do
-c
-c     find T value of circle intersections
-c
-      do k = 1, io
-         if (omit(k))  goto 110
-         omit(k) = .true.
-         narc = 0
-         top = .false.
-         txk = xc(k)
-         tyk = yc(k)
-         tzk = zc(k)
-         dk = sqrt(dsq(k))
-         bsqk = bsq(k)
-         bk = b(k)
-         gk = gr(k) * rr
-         risqk = risq(k)
-         rik = ri(k)
-         therk = ther(k)
-c
-c     rotation matrix elements
-c
-         t1 = tzk / (bk*dk)
-         axx = txk * t1
-         axy = tyk * t1
-         axz = dk / bk
-         ayx = tyk / dk
-         ayy = txk / dk
-         azx = txk / bk
-         azy = tyk / bk
-         azz = tzk / bk
-         do j = 1, io
-            if (.not. omit(j)) then
-               txj = xc(j)
-               tyj = yc(j)
-               tzj = zc(j)
-c
-c     rotate spheres so K vector colinear with z-axis
-c
-               uxj = txj*axx + tyj*axy - tzj*axz
-               uyj = tyj*ayy - txj*ayx
-               uzj = txj*azx + tyj*azy + tzj*azz
-               cosine = min(1.0d0,max(-1.0d0,uzj/b(j)))
-               if (acos(cosine) .lt. therk+ther(j)) then
-                  dsqj = uxj*uxj + uyj*uyj
-                  tb = uzj*gk - bg(j)
-                  txb = uxj * tb
-                  tyb = uyj * tb
-                  td = rik * dsqj
-                  tr2 = risqk*dsqj - tb*tb
-                  tr2 = max(eps,tr2)
-                  tr = sqrt(tr2)
-                  txr = uxj * tr
-                  tyr = uyj * tr
-c
-c     get T values of intersection for K circle
-c
-                  tb = (txb+tyr) / td
-                  tb = min(1.0d0,max(-1.0d0,tb))
-                  tk1 = acos(tb)
-                  if (tyb-txr .lt. 0.0d0)  tk1 = pix2 - tk1
-                  tb = (txb-tyr) / td
-                  tb = min(1.0d0,max(-1.0d0,tb))
-                  tk2 = acos(tb)
-                  if (tyb+txr .lt. 0.0d0)  tk2 = pix2 - tk2
-                  thec = (rrsq*uzj-gk*bg(j)) / (rik*ri(j)*b(j))
-                  if (abs(thec) .lt. 1.0d0) then
-                     the = -acos(thec)
-                  else if (thec .ge. 1.0d0) then
-                     the = 0.0d0
-                  else if (thec .le. -1.0d0) then
-                     the = -pi
-                  end if
-c
-c     see if "tk1" is entry or exit point; check t=0 point;
-c     "ti" is exit point, "tf" is entry point
-c
-                  cosine = min(1.0d0,max(-1.0d0,
-     &                            (uzj*gk-uxj*rik)/(b(j)*rr)))
-                  if ((acos(cosine)-ther(j))*(tk2-tk1) .le. 0.0d0) then
-                     ti = tk2
-                     tf = tk1
-                  else
-                     ti = tk2
-                     tf = tk1
-                  end if
-                  narc = narc + 1
-                  if (narc .ge. maxarc) then
-                     write (iout,70)
-   70                format (/,' SURFATOM  --  Increase the Value',
-     &                          ' of MAXARC')
-                     stop
-                  end if
-                  if (tf .le. ti) then
-                     arcf(narc) = tf
-                     arci(narc) = 0.0d0
-                     tf = pix2
-                     lt(narc) = j
-                     ex(narc) = the
-                     top = .true.
-                     narc = narc + 1
-                  end if
-                  arcf(narc) = tf
-                  arci(narc) = ti
-                  lt(narc) = j
-                  ex(narc) = the
-                  ux(j) = uxj
-                  uy(j) = uyj
-                  uz(j) = uzj
-               end if
-            end if
-         end do
-         omit(k) = .false.
-c
-c     special case; K circle without intersections
-c
-         if (narc .le. 0)  goto 90
-c
-c     general case; sum up arclength and set connectivity code
-c
-         call sort2 (narc,arci,key)
-         arcsum = arci(1)
-         mi = key(1)
-         t = arcf(mi)
-         ni = mi
-         if (narc .gt. 1) then
-            do j = 2, narc
-               m = key(j)
-               if (t .lt. arci(j)) then
-                  arcsum = arcsum + arci(j) - t
-                  exang = exang + ex(ni)
-                  jb = jb + 1
-                  if (jb .ge. maxarc) then
-                     write (iout,80)
-   80                format (/,' SURFATOM  --  Increase the Value',
-     &                          ' of MAXARC')
-                     stop
-                  end if
-                  i = lt(ni)
-                  kent(jb) = maxarc*i + k
-                  i = lt(m)
-                  kout(jb) = maxarc*k + i
-               end if
-               tt = arcf(m)
-               if (tt .ge. t) then
-                  t = tt
-                  ni = m
-               end if
-            end do
-         end if
-         arcsum = arcsum + pix2 - t
-         if (.not. top) then
-            exang = exang + ex(ni)
-            jb = jb + 1
-            i = lt(ni)
-            kent(jb) = maxarc*i + k
-            i = lt(mi)
-            kout(jb) = maxarc*k + i
-         end if
-         goto 100
-   90    continue
-         arcsum = pix2
-         ib = ib + 1
-  100    continue
-         arclen = arclen + gr(k)*arcsum
-  110    continue
-      end do
-      if (arclen .eq. 0.0d0)  goto 170
-      if (jb .eq. 0)  goto 150
-c
-c     find number of independent boundaries and check connectivity
-c
-      j = 0
-      do k = 1, jb
-         if (kout(k) .ne. 0) then
-            i = k
-  120       continue
-            m = kout(i)
-            kout(i) = 0
-            j = j + 1
-            do ii = 1, jb
-               if (m .eq. kent(ii)) then
-                  if (ii .eq. k) then
-                     ib = ib + 1
-                     if (j .eq. jb)  goto 150
-                     goto 130
-                  end if
-                  i = ii
-                  goto 120
-               end if
-            end do
-  130       continue
-         end if
-      end do
-      ib = ib + 1
-c
-c     attempt to fix connectivity error by moving atom slightly
-c
-      if (moved) then
-         write (iout,140)  ir
-  140    format (/,' SURFATOM  --  Connectivity Error at Atom',i6)
-      else
-         moved = .true.
-         xr = xr + rmove
-         yr = yr + rmove
-         zr = zr + rmove
-         goto 10
-      end if
-c
-c     compute the exposed surface area for the sphere of interest
-c
-  150 continue
-      area = ib*pix2 + exang + arclen
-      area = mod(area,4.0d0*pi) * rrsq
-c
-c     attempt to fix negative area by moving atom slightly
-c
-      if (area .lt. 0.0d0) then
-         if (moved) then
-            write (iout,160)  ir
-  160       format (/,' SURFATOM  --  Negative Area at Atom',i6)
-         else
-            moved = .true.
-            xr = xr + rmove
-            yr = yr + rmove
-            zr = zr + rmove
-            goto 10
-         end if
-      end if
-  170 continue
-      return
-      end