debugging 5Dia

[unres4.git] / source / unres / CSA.f90

diff --git a/source/unres/CSA.f90 b/source/unres/CSA.f90
index 4b5b8f8..9e7dbfa 100644 (file)
--- a/source/unres/CSA.f90
+++ b/source/unres/CSA.f90
@@ -206,8 +206,7 @@
           indb(n,5),indb(n,4),indb(n,7),indb(n,8),indb(n,9),&
           chacc,iaccn,difmin,denep
         else
-         write(iout,'(i3,a3,i4,i5,a6,1pe12.4,a4,i3,i4,3i5,a5,0pf4.1,&
-                                    a5,f3.0,1x,a1,i4,0pf8.1,0pf8.1)') &
+         write(iout,'(i3,a3,i4,i5,a6,1pe12.4,a4,i3,i4,3i5,a5,0pf4.1,a5,f3.0,1x,a1,i4,0pf8.1,0pf8.1)') &
           indb(n,2),' e ',indb(n,3),indb(n,1),' etot ',etot(n),' mv ',&
           indb(n,5),indb(n,4),indb(n,7),indb(n,8),indb(n,9),&
           ' rms ',rmsn(n),' %NC ',pncn(n)*100,&
@@ -805,7 +804,7 @@
 ! Groups the ALPHAs and the BETAs
       do k=1,numch
        do j=2,nres-1
-        if(itype(j).ne.10) then
+        if(itype(j,1).ne.10) then
          indg=indg+1
          ngroup(indg)=2
          do i=1,ngroup(indg)
@@ -1439,6 +1438,7 @@
       use geometry, only: dist
       include 'mpif.h'
 
+!      use random, only: iran_num,ran_number
 !      implicit real*8 (a-h,o-z)
 !      include 'DIMENSIONS'
 !      include 'COMMON.IOUNITS'
@@ -2038,7 +2038,7 @@
 #endif
           endif
           do j=jstart,jend
-            if (itype(j).eq.10) then
+            if (itype(j,1).eq.10) then
               iang=2
             else
               iang=4
@@ -2050,7 +2050,7 @@
           enddo
           if (ishift.gt.0) then
            do j=0,ishift-1
-            if (itype(jend+j).eq.10) then
+            if (itype(jend+j,1).eq.10) then
               iang=2
             else
               iang=4
@@ -2062,7 +2062,7 @@
            enddo
           else
            do j=0,-ishift-1
-            if (itype(jstart+j).eq.10) then
+            if (itype(jstart+j,1).eq.10) then
               iang=2
             else
               iang=4
@@ -2476,7 +2476,7 @@
 !          enddo
 !          call intout
           do j=jstart,jend
-            if (itype(j).eq.10) then
+            if (itype(j,1).eq.10) then
               iang=2
             else
               iang=4
@@ -4346,6 +4346,7 @@
       endif
       nft00_c=nft
       nft0i=nft
+
 !cccccccccccccccccccccccccccccccccccccc
       do while (.not. finished)
 !cccccccccccccccccccccccccccccccccccccc