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ctest src_MD-M ref ene and missing files
[unres.git]
/
source
/
unres
/
src_MD-M
/
unres.F
diff --git
a/source/unres/src_MD-M/unres.F
b/source/unres/src_MD-M/unres.F
index
03576c4
..
0e924f7
100644
(file)
--- a/
source/unres/src_MD-M/unres.F
+++ b/
source/unres/src_MD-M/unres.F
@@
-730,10
+730,12
@@
c enddo
c do j=1,3
c dc(j,0)=ran_number(-0.2d0,0.2d0)
c enddo
+ if (constr_homology.eq.0) then
usampl=.true.
totT=1.d0
eq_time=0.0d0
call read_fragments
+ endif
call chainbuild_cart
call cartprint
call intout