Adam 7/30/2014

[unres.git] / source / wham / src-restraints-DFA / geomout.F

diff --git a/source/wham/src-restraints-DFA/geomout.F b/source/wham/src-restraints-DFA/geomout.F
index 35f3d77..c38ffd2 100644 (file)
--- a/source/wham/src-restraints-DFA/geomout.F
+++ b/source/wham/src-restraints-DFA/geomout.F
@@ -168,3 +168,30 @@ c     endif
   200 format (8F10.4)
       return
       end
+c------------------------------------------------------------------------------
+      subroutine cartout(i)
+      implicit real*8 (a-h,o-z)
+      include 'DIMENSIONS'
+      include 'DIMENSIONS.ZSCOPT'
+      include 'COMMON.CHAIN'
+      include 'COMMON.INTERACT'
+      include 'COMMON.NAMES'
+      include 'COMMON.IOUNITS'
+      include 'COMMON.HEADER'
+      include 'COMMON.SBRIDGE'
+      double precision time
+#if defined(AIX) || defined(PGI)
+c      open(igeom,file=cartname,position="append")
+#else
+c      open(igeom,file=cartname,access="append")
+#endif
+      write (igeom,'("Conformation",i10)') i
+      write (igeom,'(i4,$)')
+     &   nss,(ihpb(j),jhpb(j),j=1,nss)
+      write(igeom,*)
+      write (igeom,'(8f10.5)')
+     & ((c(k,j),k=1,3),j=1,nres),
+     & ((c(k,j+nres),k=1,3),j=nnt,nct)
+c      close(igeom)
+      return
+      end