X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Fparmread.F;h=44d0370eb440288bf544e2dc65934adedb59e559;hb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;hp=48da6c079c661cd6bc3b97d4a90962b0857d71b2;hpb=81513f4efcd95dcfc5d3ec05ce6396a392d8ac24;p=unres.git

diff --git a/source/unres/src_CSA_DiL/parmread.F b/source/unres/src_CSA_DiL/parmread.F
index 48da6c0..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)
@@ -504,38 +505,22 @@ C
       read (itorp,*,end=113,err=113) (itortyp(i),i=1,ntyp)
       do iblock=1,2
       do i=-ntyp,-1
-<<<<<<< HEAD
-       itortyp(i)=-itortyp(-1)
-      enddo
-c      write (iout,*) 'ntortyp',ntortyp
-      do i=0,ntortyp,ntortyp-1
-	do j=-ntortyp,ntortyp
-	  read (itorp,*,end=113,err=113) nterm(i,j,iblock),
-     &          nlor(i,j,iblock)
-           nterm(-i,-j,iblock)=nterm(i,j,iblock)
-           nlor(-i,-j,iblock)=nlor(i,j,iblock)
-=======
        itortyp(i)=-itortyp(-i)
       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)
->>>>>>> bartek2
+          nlor(-i,-j,iblock)=nlor(i,j,iblock)
           v0ij=0.0d0
           si=-1.0d0
 	  do k=1,nterm(i,j,iblock)
 	    read (itorp,*,end=113,err=113) kk,v1(k,i,j,iblock),
      &      v2(k,i,j,iblock)
             v1(k,-i,-j,iblock)=v1(k,i,j,iblock)
-<<<<<<< HEAD
-            v2(k,-i,-j,iblock)=-v2(k,i,j,iblock) 
-=======
             v2(k,-i,-j,iblock)=-v2(k,i,j,iblock)
->>>>>>> bartek2
             v0ij=v0ij+si*v1(k,i,j,iblock)
             si=-si
 c         write(iout,*) i,j,k,iblock,nterm(i,j,iblock)
@@ -579,8 +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
@@ -657,7 +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,*)
@@ -702,7 +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)