unres_package_Oct_2016 from emilial

[unres4.git] / source / unres / CSA_data.f90

diff --git a/source/unres/CSA_data.f90 b/source/unres/CSA_data.f90
deleted file mode 100644 (file)
index cd5835d..0000000
--- a/source/unres/CSA_data.f90
+++ /dev/null
@@ -1,77 +0,0 @@
-      module csa_data
-!-----------------------------------------------------------------------------
-! Maximum number of generated conformations
-      integer,parameter :: mxio=1000
-! Maximum number of n7 generated conformations
-      integer,parameter :: mxio2=100
-! Maxmimum number of angles per residue
-      integer,parameter :: mxang=4
-! Maximum number of chains
-      integer,parameter :: mxch=1
-!-----------------------------------------------------------------------------
-! commom.bank
-!      common/varin/
-      real(kind=8),dimension(:,:,:,:),allocatable :: dihang_in !(mxang,maxres,mxch,mxio)
-!      common/minvar/
-!      real(kind=8),dimension(:,:,:,:),allocatable :: dihang !(mxang,maxres,mxch,mxio)
-      real(kind=8),dimension(:),allocatable :: rmsn,pncn !(mxio)
-!      integer,dimension(:),allocatable :: nss_out !(mxio)
-!      integer,dimension(:,:),allocatable ::iss_out,jss_out !(maxss,mxio)
-!      common/bank/
-      real(kind=8),dimension(:,:,:,:),allocatable :: rvar,bvar!(mxang,maxres,mxch,mxio)
-      real(kind=8),dimension(:),allocatable :: bene,rene,&
-       brmsn,rrmsn,bpncn,rpncn !(mxio)
-      integer,dimension(:),allocatable :: ibank!,is,jbank !(mxio)
-      real(kind=8) :: cutdif,&!,avedif,difmin,ebmin,ebmax,ebmaxt,&
-        dele,difcut,rmscut,pnccut
-!      real(kind=8),dimension(:,:),allocatable :: dij !(mxio,mxio)
-      integer :: ibmin,ibmax,nbank,ntbank,ntbankm,nconf,iuse,&
-       nstep,icycle,iseed,iref,nconf_in,ilastnstep,nadd
-!      common/bank_disulfid/
-      integer,dimension(:),allocatable :: bvar_nss,bvar_ns !(mxio)
-      integer,dimension(:,:),allocatable :: bvar_s !(maxss,mxio)
-      integer,dimension(:,:,:),allocatable :: bvar_ss !(2,maxss,mxio)              
-!-----------------------------------------------------------------------
-! common.iounits
-! I/O units used by the program
-!-----------------------------------------------------------------------
-! 9/18/99 - unit ifourier and filename fouriername included to identify
-! the file from which the coefficients of second-order Fourier expansion
-! of the local-interaction energy are read.
-! 8/9/01 - file for SCP interaction constants named scpname (unit iscpp)
-! included.
-!-----------------------------------------------------------------------
-! CSA I/O units & files
-!      common /csafiles/
-      character(len=256) :: csa_rbank,csa_seed,csa_history,csa_bank,&
-       csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,&
-       csa_bank_reminimized,csa_native_int,csa_in
-!      common /csaunits/
-      integer :: icsa_rbank,icsa_seed,icsa_history,icsa_bank,&
-       icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,&
-       icsa_bank_reminimized,icsa_native_int,icsa_in,icsa_pdb
-!-----------------------------------------------------------------------------
-! common.csa
-      integer :: irestart,ndiff
-!      common/alphaa/
-!      integer,dimension(:),allocatable :: ngroup !(mxgr)
-!      integer,dimension(:,:,:),allocatable :: igroup !(3,mxang,mxgr)
-      integer :: numch
-!      common/csa_input/
-      real(kind=8) :: cut1,cut2,estop
-      real(kind=8) :: eglob_csa
-      integer :: jstart,jend,&
-       n1,n2,n3,n4,n5,n6,n7,n8,n9,n14,n15,n16,n17,n18,n0,&
-       is1,is2,nseed,ntotal,icmax,nstmax,nran0,nran1,irr
-      integer :: nglob_csa,nmin_csa
-!      common/dih_control/
-      real(kind=8) :: rdih_bias
-!      common/diffcuta/
-      real(kind=8) :: diffcut
-!-----------------------------------------------------------------------------
-! Maximum number of groups of angles
-      integer :: mxgr
-!-----------------------------------------------------------------------------
-      real(kind=8) :: rmsdbc1
-!-----------------------------------------------------------------------------
-      end module csa_data