! common /back_constr/ in module.energy
! common /qmeas/ others in module.geometry
real(kind=8) :: eq_time
- integer :: iset,nset
+ integer :: iset,nset,itime_mat
integer,dimension(:),allocatable :: mset !(maxprocs/20)
logical :: usampl
! common /mdpar/
! COMMON /BANII/ D
real(kind=8),DIMENSION(:),allocatable :: D_ban !(MAXRES6) maxres6=6*maxres
!-----------------------------------------------------------------------------
- logical preminim ! pre-minimizaation flag
+ logical preminim, forceminim ! pre-minimizaation flag
end module MD_data