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/
integer :: nsup,nstart_sup,nstart_seq,chain_length,iprzes,nperm
integer :: nend_sup,ishift_pdb !wham
real(kind=8) :: rmssing,anatemp !wham
+ real(kind=8) :: buftubebot, buftubetop,bordtubebot,bordtubetop, &
+ tubebufthick
+ 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
integer,dimension(:,:),allocatable :: ialph !(maxres,2)
integer,dimension(:),allocatable :: ivar !(4*maxres2)
integer :: ntheta,nphi,nside,nvar
+! Store the angles and variables corresponding to old conformations (for use
+! in MCM).
+! common /oldgeo/
+!el real(kind=8),dimension(:,:),allocatable :: varsave !(maxvar,maxsave)
+! real(kind=8),dimension(:),allocatable :: esave !(maxsave)
+! integer,dimension(:),allocatable :: Origin !(maxsave)
+! integer :: nstore
+! freeze some variables
+! common /restr/
+ real(kind=8),dimension(:),allocatable :: varall !(maxvar)
+ integer,dimension(:),allocatable :: mask_theta,&
+ mask_phi,mask_side !(maxres)
+ logical :: mask_r
+!-----------------------------------------------------------------------------
+! common.MD
+! common /qmeas/
+ real(kind=8),dimension(50) :: qfrag
+ real(kind=8),dimension(100) :: qpair
+ real(kind=8),dimension(:,:),allocatable :: qinfrag,wfrag !(50,maxprocs/20)
+ real(kind=8),dimension(:,:),allocatable :: qinpair,wpair !(100,maxprocs/20)
+ real(kind=8) :: Uconst
+ integer,dimension(:,:,:),allocatable :: ifrag !(2,50,maxprocs/20)
+ integer,dimension(:,:,:),allocatable :: ipair !(2,100,maxprocs/20)
+ integer :: nfrag,npair
!-----------------------------------------------------------------------------
integer,dimension(:),allocatable :: itype_pdb !(maxres) initialize in molread
!-----------------------------------------------------------------------------
!-----------------------------------------------------------------------------
+! common.box
+ real(kind=8) :: boxxsize,boxysize,boxzsize
+
end module geometry_data