1)Clean-up 2)making similar src_MD and its multichain version 3)

[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 68f599a..074db7c 100644 (file)
--- a/source/unres/src_MD/parmread.F
+++ b/source/unres/src_MD/parmread.F
@@ -391,11 +391,12 @@ C
       endif
       write (2,*) "Start reading THETA_PDB"
       do i=1,ntyp
-        read (ithep,*,err=111,end=111) a0thet(i),(athet(j,i,1,1),j=1,2),
+        read (ithep_pdb,*,err=111,end=111)
+     &     a0thet(i),(athet(j,i,1,1),j=1,2),
      &    (bthet(j,i,1,1),j=1,2)
-        read (ithep,*,err=111,end=111) (polthet(j,i),j=0,3)
-       read (ithep,*,err=111,end=111) (gthet(j,i),j=1,3)
-       read (ithep,*,err=111,end=111) theta0(i),sig0(i),sigc0(i)
+        read (ithep_pdb,*,err=111,end=111) (polthet(j,i),j=0,3)
+       read (ithep_pdb,*,err=111,end=111) (gthet(j,i),j=1,3)
+       read (ithep_pdb,*,err=111,end=111) theta0(i),sig0(i),sigc0(i)
        sigc0(i)=sigc0(i)**2
       enddo
       do i=1,ntyp
@@ -541,6 +542,8 @@ C
 C Read the parameters of the probability distribution/energy expression
 C of the side chains.
 C
+      write (2,*) "Start reading ROTAM_PDB"
+
       do i=1,ntyp
        read (irotam_pdb,'(3x,i3,f8.3)',end=112,err=112) nlob(i),dsc(i)
         if (i.eq.10) then
@@ -579,6 +582,7 @@ C
        endif
       enddo
       close (irotam_pdb)
+      write (2,*) "Ending reading ROTAM_PDB"
 #endif
       close(irotam)