Merge branch 'devel' into feature-ga

[unres.git] / source / unres / src_MD-M / xdrf2pdb / xdrf2x.F

diff --git a/source/unres/src_MD-M/xdrf2pdb/xdrf2x.F b/source/unres/src_MD-M/xdrf2pdb/xdrf2x.F
deleted file mode 100644 (file)
index 660d4c8..0000000
--- a/source/unres/src_MD-M/xdrf2pdb/xdrf2x.F
+++ /dev/null
@@ -1,65 +0,0 @@
-      real coord(3,1000)
-      real prec,time,potE,uconst,t_bath,qfrag(100)
-      integer ihpb(100),jhpb(100),iset
-      character*80 arg
-      
-      print *,"start"
-      call getarg(1,arg)
-
-      print *,arg
-#ifdef BLUEGENE
-      call xdrfopen_(ixdrf,arg, "r", iret)
-       
-      do while(.true.) 
-       call xdrffloat_(ixdrf, time, iret)
-       if(iret.eq.0) goto 10
-       call xdrffloat_(ixdrf, potE, iret)
-       call xdrffloat_(ixdrf, uconst, iret)
-       call xdrffloat_(ixdrf, t_bath, iret)
-       call xdrfint_(ixdrf, nss, iret) 
-       do j=1,nss
-        call xdrfint_(ixdrf, ihpb(j), iret)
-        call xdrfint_(ixdrf, jhpb(j), iret)
-       enddo
-       call xdrfint_(ixdrf, nfrag, iret)
-       call xdrfint_(ixdrf, iset, iret)
-       do i=1,nfrag
-        call xdrffloat_(ixdrf, qfrag(i), iret)
-       enddo
-       prec=10000.0
-
-       isize=0
-       call xdrf3dfcoord_(ixdrf, coord, isize, prec, iret)
-#else
-      call xdrfopen(ixdrf,arg, "r", iret)
-       
-      do while(.true.) 
-       call xdrffloat(ixdrf, time, iret)
-       if(iret.eq.0) goto 10
-       call xdrffloat(ixdrf, potE, iret)
-       call xdrffloat(ixdrf, uconst, iret)
-       call xdrffloat(ixdrf, t_bath, iret)
-       call xdrfint(ixdrf, nss, iret) 
-       do j=1,nss
-        call xdrfint(ixdrf, ihpb(j), iret)
-        call xdrfint(ixdrf, jhpb(j), iret)
-       enddo
-       call xdrfint(ixdrf, nfrag, iret)
-       call xdrfint(ixdrf, iset, iret)
-       do i=1,nfrag
-        call xdrffloat(ixdrf, qfrag(i), iret)
-       enddo
-       prec=10000.0
-
-       isize=0
-       call xdrf3dfcoord(ixdrf, coord, isize, prec, iret)
-#endif
-
-       write (*,'(e15.8,2e15.5,f12.5,$)') time,potE,uconst,t_bath
-       write (*,'(i4,$)') nss,(ihpb(j),jhpb(j),j=1,nss)
-       write (*,'(i4)') iset
-       write (*,'(i4,20f7.4)') nfrag,(qfrag(i),i=1,nfrag)
-       write (*,'(8f10.5)') ((coord(k,j),k=1,3),j=1,isize)
-      enddo
-  10  continue
-      end