Adam's changes to wham and cluster following previous commit

[unres.git] / source / wham / src / molread_zs.F

diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F
index 34b3210..9c999cc 100644 (file)
--- a/source/wham/src/molread_zs.F
+++ b/source/wham/src/molread_zs.F
@@ -57,6 +57,19 @@ C Convert sequence to numeric code
       do i=1,nres
         itype(i)=rescode(i,sequence(i),iscode)
       enddo
+      if (itype(2).eq.10) then
+        write (iout,*)
+     &   "Glycine is the first full residue, initial dummy deleted"
+        do i=1,nres
+          itype(i)=itype(i+1)
+        enddo
+        nres=nres-1
+      endif
+      if (itype(nres).eq.10) then
+        write (iout,*)
+     &   "Glycine is the last full residue, terminal dummy deleted"
+        nres=nres-1
+      endif
       write (iout,*) "Numeric code:"
       write (iout,'(20i4)') (itype(i),i=1,nres)
       do i=1,nres-1
@@ -862,7 +875,11 @@ cd      write(iout,*) "waga_theta",waga_theta,"waga_d",waga_d
      &   1.0d0/dsqrt(sigma_d(ki,i)),ki=1,constr_homology)
        enddo
       endif
+#ifdef AIX
       call flush_(iout)
+#else 
+      call flush(iout)
+#endif
 c -----------------------------------------------------------------
       return
       end