multichain cleaning output

[unres.git] / source / unres / src_MD / parmread.F

diff --git a/source/unres/src_MD/parmread.F b/source/unres/src_MD/parmread.F
index 4729ca5..4efc165 100644 (file)
--- a/source/unres/src_MD/parmread.F
+++ b/source/unres/src_MD/parmread.F
@@ -276,7 +276,7 @@ C
       enddo
       call flush(iout)
       endif
-      write (2,*) "Start reading THETA_PDB"
+cd      write (2,*) "Start reading THETA_PDB"
       do i=1,ntyp
         read (ithep_pdb,*,err=111,end=111) a0thet(i),(athet(j,i),j=1,2),
      &    (bthet(j,i),j=1,2)
@@ -285,7 +285,7 @@ C
        read (ithep_pdb,*,err=111,end=111) theta0(i),sig0(i),sigc0(i)
        sigc0(i)=sigc0(i)**2
       enddo
-      write (2,*) "End reading THETA_PDB"
+cd      write (2,*) "End reading THETA_PDB"
       close (ithep_pdb)
 #endif
       close(ithep)
@@ -557,26 +557,27 @@ 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=1113,err=1113) nsccortyp
+      read (isccor,*,end=1113,err=1113) (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=1113,err=1113) 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=1113,err=1113) 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=1113,err=1113) 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)
@@ -965,6 +966,9 @@ c      v3ss=0.0d0
       goto 999
   113 write (iout,*) "Error reading torsional energy parameters."
       goto 999
+ 1113 write (iout,*) 
+     &  "Error reading side-chain torsional energy parameters."
+      goto 999
   114 write (iout,*) "Error reading double torsional energy parameters."
       goto 999
   115 write (iout,*)