X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fgeometry.f90;h=9737d1a727db257fea34884d107acac091810641;hb=4fa6ed0fa1ee37552df6064fe60a73f218c101ca;hp=f9751f6ef9c2642a1d448b1e1fd9413931737847;hpb=c43a5a1d5cc1d3f94c53de28dd1fd93bea770790;p=unres4.git diff --git a/source/unres/geometry.f90 b/source/unres/geometry.f90 index f9751f6..9737d1a 100644 --- a/source/unres/geometry.f90 +++ b/source/unres/geometry.f90 @@ -83,6 +83,7 @@ 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). @@ -539,7 +540,7 @@ #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 !----------------------------------------------------------------------------- @@ -770,7 +771,7 @@ 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) ! @@ -1827,7 +1828,7 @@ 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 !----------------------------------------------------------------------------- @@ -3047,7 +3048,7 @@ 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 @@ -3418,7 +3419,7 @@ ! 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 !-----------------------------------------------------------------------------