X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Fparmread.F;h=44d0370eb440288bf544e2dc65934adedb59e559;hb=b75425747e3e2b448ca5e0ef8367712e1f339124;hp=e58af2f42f0e295165d620c756cd61233d77590d;hpb=59403741e5c6541c3617c08c6e8e0c11ec394cce;p=unres.git

diff --git a/source/unres/src_CSA_DiL/parmread.F b/source/unres/src_CSA_DiL/parmread.F
index e58af2f..44d0370 100644
--- a/source/unres/src_CSA_DiL/parmread.F
+++ b/source/unres/src_CSA_DiL/parmread.F
@@ -314,8 +314,9 @@ C
       endif
       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)
+        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_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)
@@ -508,11 +509,11 @@ C
       enddo
 c      write (iout,*) 'ntortyp',ntortyp
       do i=0,ntortyp-1
-	do j=-ntortyp,ntortyp
+	do j=-ntortyp+1,ntortyp-1
 	  read (itorp,*,end=113,err=113) nterm(i,j,iblock),
-                 nlor(i,j,iblock)
+     &            nlor(i,j,iblock)
           nterm(-i,-j,iblock)=nterm(i,j,iblock)
-     &          nlor(i,j,iblock)
+          nlor(-i,-j,iblock)=nlor(i,j,iblock)
           v0ij=0.0d0
           si=-1.0d0
 	  do k=1,nterm(i,j,iblock)
@@ -543,11 +544,12 @@ c      &v2(k,-i,-j,iblock),v2(k,i,j,iblock)
 	  do j=1,ntortyp
             write (iout,*) 'ityp',i,' jtyp',j
             write (iout,*) 'Fourier constants'
-            do k=1,nterm(i,j)
-	      write (iout,'(2(1pe15.5))') v1(k,i,j),v2(k,i,j)
+            do k=1,nterm(i,j,iblock)
+	      write (iout,'(2(1pe15.5))') v1(k,i,j,iblock),
+     &         v2(k,i,j,iblock)
             enddo
             write (iout,*) 'Lorenz constants'
-            do k=1,nlor(i,j)
+            do k=1,nlor(i,j,iblock)
 	      write (iout,'(3(1pe15.5))') 
      &         vlor1(k,i,j),vlor2(k,i,j),vlor3(k,i,j)
             enddo
@@ -562,8 +564,8 @@ C
         do j=-ntortyp+1,ntortyp-1
           do k=-ntortyp+1,ntortyp-1
             read (itordp,'(3a1)',end=114,err=114) t1,t2,t3
-              write (iout,*) "OK onelett",
-     &         i,j,k,t1,t2,t3
+c              write (iout,*) "OK onelett",
+c     &         i,j,k,t1,t2,t3
 
             if (t1.ne.toronelet(i) .or. t2.ne.toronelet(j) 
      &        .or. t3.ne.toronelet(k)) then
@@ -640,7 +642,7 @@ C Matrix of D parameters for two dimesional fourier series
             write (iout,'(3x,20i10)') (l,l=1,ntermd_2(i,j,k,iblock))
             do l=1,ntermd_2(i,j,k,iblock)
               write (iout,'(i5,20f10.5)') 
-     &         l,(v2s(l,m,i,j,k,iblock),m=1,ntermd_2(i,j,k,iblock))
+     &         l,(v2s(l,m,i,j,k,iblock),m=1,ntermd_2(i,j,k,iblock)),
      &         (v2s(l,m,-i,-j,-k,iblock),m=1,ntermd_2(i,j,k,iblock))
             enddo
             write (iout,*)
@@ -685,7 +687,6 @@ C
         write (iout,*) "Coefficients of the cumulants"
       endif
       read (ifourier,*) nloctyp
-      do i=1,nloctyp
       do i=0,nloctyp-1
         read (ifourier,*,end=115,err=115)
         read (ifourier,*,end=115,err=115) (b(ii),ii=1,13)