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Adam's corrections
[unres.git]
/
source
/
wham
/
src-HCD
/
read_constr_homology.F
diff --git
a/source/wham/src-HCD/read_constr_homology.F
b/source/wham/src-HCD/read_constr_homology.F
index
ab9901d
..
0af2bdb
100644
(file)
--- a/
source/wham/src-HCD/read_constr_homology.F
+++ b/
source/wham/src-HCD/read_constr_homology.F
@@
-145,8
+145,10
@@
c
unres_pdb=.false.
if (read2sigma) then
call readpdb_template(k)
unres_pdb=.false.
if (read2sigma) then
call readpdb_template(k)
+ close(ipdbin)
else
call readpdb
else
call readpdb
+ close(ipdbin)
endif
c call readpdb
endif
c call readpdb
@@
-552,14
+554,18
@@
c Distance restraints
c
c ... --> odl(k,ii)
C Copy the coordinates from reference coordinates (?)
c
c ... --> odl(k,ii)
C Copy the coordinates from reference coordinates (?)
+c write (iout,*) "k",k
do i=1,2*nres
do j=1,3
c(j,i)=chomo(j,i,k)
do i=1,2*nres
do j=1,3
c(j,i)=chomo(j,i,k)
-c write (iout,*) "c(",j,i,") =",c(j,i)
+c write (iout,*) "c(",j,i,") =",c(j,i)
enddo
enddo
enddo
enddo
+c call cartprint
+c write (iout,*) "read_klapaucjusz: calling int_from_cart"
call int_from_cart(.true.,.false.)
call sc_loc_geom(.false.)
call int_from_cart(.true.,.false.)
call sc_loc_geom(.false.)
+c write (iout,*) "en"
do i=1,nres
thetaref(i)=theta(i)
phiref(i)=phi(i)
do i=1,nres
thetaref(i)=theta(i)
phiref(i)=phi(i)