X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fgeometry_data.f90;h=49357af2c0e544eafd376de1f4fea2e63bee7e17;hb=d62d8388175880fb6700daba86794663aeb3a78d;hp=f5b843bb66dd626e1bcc18895a4f4a6f0d06f78c;hpb=5d299c1a16ab51f8206b8ee3b17c7bcabe9321b7;p=unres4.git diff --git a/source/unres/data/geometry_data.f90 b/source/unres/data/geometry_data.f90 index f5b843b..49357af 100644 --- a/source/unres/data/geometry_data.f90 +++ b/source/unres/data/geometry_data.f90 @@ -12,6 +12,7 @@ real(kind=8),dimension(:,:),allocatable :: xloc,xrot !(3,maxres) real(kind=8),dimension(:),allocatable :: dc_work !(MAXRES6) integer :: nres,nres0 + integer, dimension(5) :: nres_molec ! common /rotmat/ real(kind=8),dimension(:,:,:),allocatable :: prod,rt !(3,3,maxres) ! common /refstruct/ @@ -26,6 +27,7 @@ real(kind=8) :: buflipbot, bufliptop,bordlipbot,bordliptop, & lipbufthick,lipthick integer,dimension(:,:),allocatable :: tabperm !(maxperm,maxsym) + integer molec ! common /from_zscore/ in module.compare !----------------------------------------------------------------------------- ! common.geo