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random generation for nucleic acids
[unres4.git]
/
source
/
unres
/
io.F90
diff --git
a/source/unres/io.F90
b/source/unres/io.F90
index
ffce3d7
..
2a6147e
100644
(file)
--- a/
source/unres/io.F90
+++ b/
source/unres/io.F90
@@
-225,7
+225,7
@@
fail=.true.
ii=0
do while (fail .and. ii .le. maxsi)
fail=.true.
ii=0
do while (fail .and. ii .le. maxsi)
- call gen_side(itype(i,1),theta(i+1),alph(i),omeg(i),fail)
+ call gen_side(itype(i,1),theta(i+1),alph(i),omeg(i),fail,molnum(i))
ii = ii+1
enddo
endif
ii = ii+1
enddo
endif
@@
-1004,7
+1004,7
@@
nsi=0
fail=.true.
do while (fail.and.nsi.le.maxsi)
nsi=0
fail=.true.
do while (fail.and.nsi.le.maxsi)
- call gen_side(iti,theta(i+1),alph(i),omeg(i),fail)
+ call gen_side(iti,theta(i+1),alph(i),omeg(i),fail,molnum(i))
nsi=nsi+1
enddo
if(fail) write(iout,*)'Adding sidechain failed for res ',&
nsi=nsi+1
enddo
if(fail) write(iout,*)'Adding sidechain failed for res ',&