error message when reading SCCOR corrected

Conflicts:

	bin/unres/MD/unres_ifort_MPICH_E0LL2Y-test.exe

diff --git a/bin/unres/MD/unres_ifort_MPICH_E0LL2Y-test.exe b/bin/unres/MD/unres_ifort_MPICH_E0LL2Y-test.exe
deleted file mode 100755 (executable)
index e3428c6..0000000
Binary files a/bin/unres/MD/unres_ifort_MPICH_E0LL2Y-test.exe and /dev/null differ

diff --git a/source/unres/src_MD/cinfo.f b/source/unres/src_MD/cinfo.f
index dbf6b85..2f905cc 100644 (file)
--- a/source/unres/src_MD/cinfo.f
+++ b/source/unres/src_MD/cinfo.f
@@ -1,10 +1,10 @@
 C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 3 1 2
+C 3 1 3
       subroutine cinfo
       include 'COMMON.IOUNITS'
       write(iout,*)'++++ Compile info ++++'
-      write(iout,*)'Version 3.1 build 2'
-      write(iout,*)'compiled Fri Sep 21 10:36:52 2012'
+      write(iout,*)'Version 3.1 build 3'
+      write(iout,*)'compiled Fri Sep 21 12:34:54 2012'
       write(iout,*)'compiled by czarek@piasek3'
       write(iout,*)'OS name:    Linux '
       write(iout,*)'OS release: 2.6.32-42-generic '

diff --git a/source/unres/src_MD/parmread.F b/source/unres/src_MD/parmread.F
index 4729ca5..bdc3809 100644 (file)
--- a/source/unres/src_MD/parmread.F
+++ b/source/unres/src_MD/parmread.F
@@ -557,26 +557,26 @@ C Read of Side-chain backbone correlation parameters
 C Modified 11 May 2012 by Adasko
 CCC
 C
-      read (isccor,*,end=113,err=113) nsccortyp
-      read (isccor,*,end=113,err=113) (isccortyp(i),i=1,ntyp)
+      read (isccor,*,end=119,err=119) nsccortyp
+      read (isccor,*,end=119,err=119) (isccortyp(i),i=1,ntyp)
 c      write (iout,*) 'ntortyp',ntortyp
       maxinter=3
 cc maxinter is maximum interaction sites
       do l=1,maxinter    
       do i=1,nsccortyp
        do j=1,nsccortyp
-         read (isccor,*,end=113,err=113) nterm_sccor(i,j),nlor_sccor(i,j)
+         read (isccor,*,end=119,err=119) nterm_sccor(i,j),nlor_sccor(i,j)
           v0ijsccor=0.0d0
           si=-1.0d0
   
          do k=1,nterm_sccor(i,j)
-           read (isccor,*,end=113,err=113) kk,v1sccor(k,l,i,j)
+           read (isccor,*,end=119,err=119) kk,v1sccor(k,l,i,j)
      &    ,v2sccor(k,l,i,j) 
             v0ijsccor=v0ijsccor+si*v1sccor(k,l,i,j)
             si=-si
           enddo
          do k=1,nlor_sccor(i,j)
-            read (isccor,*,end=113,err=113) kk,vlor1sccor(k,i,j),
+            read (isccor,*,end=119,err=119) kk,vlor1sccor(k,i,j),
      &        vlor2sccor(k,i,j),vlor3sccor(k,i,j) 
             v0ijsccor=v0ijsccor+vlor1sccor(k,i,j)/
      &(1+vlor3sccor(k,i,j)**2)