X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fmuca_md.f90;h=b490c4f15bc18c7076b9cca92edf999da7d7ff9e;hb=5caab5415c9f7622a0d0085135a520b49f5cd4fd;hp=b72d88298166f80c32aca0d8f0c1f4adaa5a8afa;hpb=35f220f409bd5d21be33a402d79da2c23d3e0c3a;p=unres4.git diff --git a/source/unres/muca_md.f90 b/source/unres/muca_md.f90 index b72d882..b490c4f 100644 --- a/source/unres/muca_md.f90 +++ b/source/unres/muca_md.f90 @@ -60,8 +60,6 @@ !----------------------------------------------------------------------------- subroutine muca_update(energy) - ! use remd - ! use MPI use control_data ! implicit real*8 (a-h,o-z) ! include 'DIMENSIONS' @@ -239,7 +237,7 @@ !----------------------------------------------------------------------------- subroutine read_muca - use control_data, only: modecalc,maxprocs + use control_data, only: modecalc !,maxprocs use MD_data use REMD_data use MPI_data @@ -254,7 +252,7 @@ real(kind=8) :: yp1,ypn,yp,x,y,muca_ene !,muca_factor !el local variable real(kind=8) :: emuca_alloc(4*maxres),nemuca_alloc(4*maxres) - integer(kind=2) :: i2rep_alloc(0:maxprocs) + integer(kind=2) :: i2rep_alloc(0:Nprocs) !(0:maxprocs) integer :: i,k,j ! real(kind=8) :: var,ene @@ -327,7 +325,7 @@ !----------------------------------------------------------------------------- subroutine print_muca - use control_data, only: modecalc,mucadyn,maxprocs + use control_data, only: modecalc,mucadyn !,maxprocs use MD_data use REMD_data use MPI_data @@ -340,7 +338,7 @@ ! include 'COMMON.SETUP' ! include 'COMMON.IOUNITS' real(kind=8) :: yp1,ypn,yp,x,y !,muca_ene,muca_factor - real(kind=8) :: dummy(maxprocs) + real(kind=8) :: dummy(Nprocs) !(maxprocs) !el local variables integer :: i,j,k