! common.MD
! common /mdgrad/ in module.energy
! common /back_constr/ in module.energy
-! common /qmeas/ in module.energy
+! common /qmeas/ others in module.geometry
+ real(kind=8) :: eq_time
+ integer :: iset,nset
+ integer,dimension(:),allocatable :: mset !(maxprocs/20)
+ logical :: usampl
! common /mdpar/
real(kind=8) :: v_ini,d_time,d_time0,scal_fric,&
t_bath,tau_bath,dvmax,damax
real(kind=8),dimension(:),allocatable :: d_a_work !(6*MAXRES)
real(kind=8),dimension(:,:),allocatable :: Gmat,Ginv,A,&
Gsqrp,Gsqrm,Gvec !(maxres2,maxres2)
+ real(kind=8),dimension(:),allocatable :: DM,DU1,DU2
+ real(kind=8),dimension(:),allocatable :: DMorig,DU1orig,DU2orig
real(kind=8),dimension(:),allocatable :: Geigen !(maxres2)
real(kind=8),dimension(:),allocatable ::vtot !(maxres2)
logical :: reset_moment,reset_vel,rattle,RESPA