anchor.diff:    real(kflt)                 :: wid          ! %id for weights calculation
     integer                    :: uprm         ! prm unit
     integer                    :: urst         ! rst unit
  -  integer                    :: useq         ! seq unit
  -  integer                    :: mc_nsweeps   ! number of MC sweeps per gradient estimate
  -  integer                    :: nupdate      ! stride for averages aupdate
  -  integer                    :: niter_agd    ! number of iter. (Nesterov alg.)
  -  integer                    :: niter_gd     ! number of iter. (gradient descent)
  -  real(kflt)                 :: lambda       ! Gaussian prior hyperparameter
     character(len=string_size) :: mode         ! run mode: EVAL, SIM, LEARN
     integer                    :: rseed        ! random seed
  -  real(kflt)                 :: beta         ! temperature of the run
     integer                         :: iproc=0,nproc=1
     integer                         :: err
     character(long_string_size)     :: err_string
     integer                         :: dim1,dim2
  -  integer                         :: utrj,uene,ulog
  +  integer                         :: uene,ulog
     character(len=long_string_size) :: filename
  -  real(kflt)                      :: facc
     integer                         :: j
     real(kflt)                      :: etot,efields,ecouplings
  -  logical                         :: hot_start
   
     !================================================ set defaults
   
  
positive.code:   wid = -1
    uprm = 0
    urst = 0
    useq = 0
    mc_nsweeps = 0
    nupdate = 10
    niter_gd = 0
    niter_agd = 0
    lambda = 0.01_kflt
    mode = 'EVAL'
    rseed = 0
    beta = 1.0_kflt
  
    !================================================ init. unit identifiers
  
  
negative.code:   integer,    allocatable :: seqs0(:,:)
    real(kflt), allocatable :: prm(:)       ! parameters array
    real(kflt), allocatable :: fmodel(:)    ! model frequencies
    integer, allocatable    :: seqs_table(:,:)
    ! command line parameters
    integer                    :: udata        ! data unit
  