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changes need for chamm-gui
[unres4.git]
/
source
/
unres
/
unres.F90
diff --git
a/source/unres/unres.F90
b/source/unres/unres.F90
index
771f150
..
4f9d879
100644
(file)
--- a/
source/unres/unres.F90
+++ b/
source/unres/unres.F90
@@
-299,10
+299,13
@@
etota = energy_(0)
etot = etota
call enerprint(energy_)
etota = energy_(0)
etot = etota
call enerprint(energy_)
+ if (.false.) then
call hairpin(.true.,nharp,iharp)
call secondary2(.true.)
call hairpin(.true.,nharp,iharp)
call secondary2(.true.)
+ endif
if (minim) then
!rc overlap test
if (minim) then
!rc overlap test
+ print *,"overlap",searchsc,overlapsc
if (overlapsc) then
print *, 'Calling OVERLAP_SC'
call overlap_sc(fail)
if (overlapsc) then
print *, 'Calling OVERLAP_SC'
call overlap_sc(fail)