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ifdef poporawa
[unres4.git]
/
source
/
unres
/
geometry.f90
diff --git
a/source/unres/geometry.f90
b/source/unres/geometry.f90
index
f9751f6
..
9737d1a
100644
(file)
--- a/
source/unres/geometry.f90
+++ b/
source/unres/geometry.f90
@@
-83,6
+83,7
@@
nres2=2*nres
! Set lprn=.true. for debugging
lprn = .false.
nres2=2*nres
! Set lprn=.true. for debugging
lprn = .false.
+ print *,"I ENTER CHAINBUILD"
!
! Define the origin and orientation of the coordinate system and locate the
! first three CA's and SC(2).
!
! Define the origin and orientation of the coordinate system and locate the
! first three CA's and SC(2).
@@
-539,7
+540,7
@@
#endif
return
end subroutine int_from_cart1
#endif
return
end subroutine int_from_cart1
-#if .not. defined(WHAM_RUN) && .not. defined(CLUSTER)
+#if !defined(WHAM_RUN) && !defined(CLUSTER)
!-----------------------------------------------------------------------------
! check_sc_distr.f
!-----------------------------------------------------------------------------
!-----------------------------------------------------------------------------
! check_sc_distr.f
!-----------------------------------------------------------------------------
@@
-770,7
+771,7
@@
thetnorm=xx
return
end function thetnorm
thetnorm=xx
return
end function thetnorm
-#if .not. defined(WHAM_RUN) && .not. defined(CLUSTER)
+#if !defined(WHAM_RUN) && !defined(CLUSTER)
!-----------------------------------------------------------------------------
subroutine var_to_geom_restr(n,xx)
!
!-----------------------------------------------------------------------------
subroutine var_to_geom_restr(n,xx)
!
@@
-1827,7
+1828,7
@@
dist=dsqrt(x12*x12+y12*y12+z12*z12)
return
end function dist
dist=dsqrt(x12*x12+y12*y12+z12*z12)
return
end function dist
-#if .not. defined(WHAM_RUN) && .not. defined(CLUSTER)
+#if !defined(WHAM_RUN) && !defined(CLUSTER)
!-----------------------------------------------------------------------------
! local_move.f
!-----------------------------------------------------------------------------
!-----------------------------------------------------------------------------
! local_move.f
!-----------------------------------------------------------------------------
@@
-3047,7
+3048,7
@@
enddo
return
end subroutine sccenter
enddo
return
end subroutine sccenter
-#if .not. defined(WHAM_RUN) && .not. defined(CLUSTER)
+#if !defined(WHAM_RUN) && !defined(CLUSTER)
!-----------------------------------------------------------------------------
subroutine bond_regular
use calc_data
!-----------------------------------------------------------------------------
subroutine bond_regular
use calc_data
@@
-3418,7
+3419,7
@@
! The side-chain vector derivatives
return
end subroutine int_to_cart
! The side-chain vector derivatives
return
end subroutine int_to_cart
-#if .not. defined(WHAM_RUN) && .not. defined(CLUSTER)
+#if !defined(WHAM_RUN) && !defined(CLUSTER)
!-----------------------------------------------------------------------------
! readrtns_CSA.F
!-----------------------------------------------------------------------------
!-----------------------------------------------------------------------------
! readrtns_CSA.F
!-----------------------------------------------------------------------------