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debugging 5Dia
[unres4.git]
/
source
/
unres
/
unres.f90
diff --git
a/source/unres/unres.f90
b/source/unres/unres.f90
index
3fad3c4
..
12368af
100644
(file)
--- a/
source/unres/unres.f90
+++ b/
source/unres/unres.f90
@@
-165,9
+165,9
@@
print *,'Start MD'
call alloc_MD_arrays
print *,'After MD alloc'
print *,'Start MD'
call alloc_MD_arrays
print *,'After MD alloc'
-! if (me.eq.king .or. .not. out1file) &
-! write (iout,*) "Calling chainbuild"
-! call chainbuild
+ if (me.eq.king .or. .not. out1file) &
+ write (iout,*) "Calling chainbuild"
+ call chainbuild
call MD
return
end subroutine exec_MD
call MD
return
end subroutine exec_MD
@@
-195,7
+195,7
@@
! write (iout,*) "Calling chainbuild"
! call chainbuild
if (me.eq.king .or. .not. out1file) &
! write (iout,*) "Calling chainbuild"
! call chainbuild
if (me.eq.king .or. .not. out1file) &
- write (iout,*) "Calling REMD"
+ write (iout,*) "Calling REMD",remd_mlist,nrep
if (remd_mlist) then
call MREMD
else
if (remd_mlist) then
call MREMD
else