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test homo small memory single sco
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
readrtns_CSA.F
diff --git
a/source/unres/src-HCD-5D/readrtns_CSA.F
b/source/unres/src-HCD-5D/readrtns_CSA.F
index
4fbc0f1
..
b24a582
100644
(file)
--- a/
source/unres/src-HCD-5D/readrtns_CSA.F
+++ b/
source/unres/src-HCD-5D/readrtns_CSA.F
@@
-3265,8
+3265,8
@@
c & constr_homology
endif
sigma_odl(k,ii)=1.0d0/(sigma_odl(k,ii)*sigma_odl(k,ii))
else
endif
sigma_odl(k,ii)=1.0d0/(sigma_odl(k,ii)*sigma_odl(k,ii))
else
- ii=ii+1
- l_homo(k,ii)=.false.
+ct ii=ii+1
+ct l_homo(k,ii)=.false.
endif
enddo
enddo
endif
enddo
enddo
@@
-3456,7
+3456,7
@@
cd write(iout,*) "waga_theta",waga_theta,"waga_d",waga_d
if(me.eq.king .or. .not. out1file .and. fg_rank.eq.0) then
write (iout,*) "Distance restraints from templates"
do ii=1,lim_odl
if(me.eq.king .or. .not. out1file .and. fg_rank.eq.0) then
write (iout,*) "Distance restraints from templates"
do ii=1,lim_odl
- write(iout,'(3i5,100(2f8.2,1x,l1,4x))')
+ write(iout,'(i8,2i5,100(f8.2,e12.4,1x,l1,4x))')
& ii,ires_homo(ii),jres_homo(ii),
& (odl(ki,ii),1.0d0/dsqrt(sigma_odl(ki,ii)),l_homo(ki,ii),
& ki=1,constr_homology)
& ii,ires_homo(ii),jres_homo(ii),
& (odl(ki,ii),1.0d0/dsqrt(sigma_odl(ki,ii)),l_homo(ki,ii),
& ki=1,constr_homology)