module REMD_data !----------------------------------------------------------------------------- ! Maximum number of conformation stored in cache on each CPU before sending ! to master; depends on nstex / ntwx ratio integer,parameter :: max_cache_traj=10 !----------------------------------------------------------------------------- ! commom.remd ! common /remdcommon/ integer :: nrep,nstex,i_sync_step real(kind=8) :: retmin,retmax real(kind=8),dimension(:),allocatable :: remd_t !(maxprocs) logical :: remd_tlist,remd_mlist,mremdsync,restart1file,traj1file integer,dimension(:),allocatable :: remd_m !(maxprocs) ! common /remdrestart/ integer(kind=2),dimension(:),allocatable :: i2rep !,i2set !(0:maxprocs) ! common /traj1cache/ integer :: max_cache_traj_use !----------------------------------------------------------------------------- ! common /przechowalnia/ subroutines: friction_force,setup_fricmat ! real(kind=8),dimension(:,:),allocatable :: ginvfric !(2*nres,2*nres) !maxres2=2*maxres !----------------------------------------------------------------------------- ! common /przechowalnia/ subroutine: setup_fricmat ! real(kind=8),dimension(:,:),allocatable :: fcopy !(2*nres,2*nres) !----------------------------------------------------------------------------- !----------------------------------------------------------------------------- end module REMD_data