X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fgeometry_data.f90;fp=source%2Funres%2Fdata%2Fgeometry_data.f90;h=5efd1be74bfe7529ca963e79abce5f5f7913e20a;hb=3d82fd4865ef986a636dcb144357cc095a20ffbc;hp=e6e73d20eb6535ad07827f0227c2ebba93e8c96e;hpb=bd02e13419b372715884200b98a58b48e1407f62;p=unres4.git

diff --git a/source/unres/data/geometry_data.f90 b/source/unres/data/geometry_data.f90
index e6e73d2..5efd1be 100644
--- a/source/unres/data/geometry_data.f90
+++ b/source/unres/data/geometry_data.f90
@@ -53,6 +53,30 @@
       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
 !-----------------------------------------------------------------------------