integer*4 :: timeArray(4) ! used for random seed integer*4 :: npdb = 0 ! number of pdb files integer*4 :: ntwham = 0 ! number of WHAM template files integer*4 :: ntmremd = 0 ! number of MREMD template files integer*4 :: nscripts = 0 ! number of shell scripts to copy integer*4 :: maxgen = 0 ! maximum number of generations integer*4 :: banksize = 0 ! size of bank integer*4 :: generation = 0 ! current generation integer*4 :: maxminstep = 0 ! max minimalization to be done by zscore integer*4,parameter :: maxnpdb = 10 ! hard limit for maximum number of proteins integer*4,parameter :: maxscripts = 10 real*8 :: csacutoff = 0.0 ! CSA cutoff real*8 :: minco = 0.0 ! minimal CSA cutoff factor real*8 :: maxco = 0.0 ! maximal CSA cutoff factor real*8 :: avrd = 0.0 ! average distance between ind in first bank logical :: do_optima = .false. ! do optimization in this step (internal variable) logical :: do_ga = .false. ! do genetic algotithm in this step (internal variable) logical :: do_fs = .false. ! do first step (internal variable) character*32 :: pdbfiles(maxnpdb) ! PDB filenames character*32 :: scripts(maxscripts) ! shell scripts filenames character*32 :: whamtemplate(maxnpdb) ! WHAM template filenames character*32 :: mremdtemplate(maxnpdb) ! MREMD template filenames character*32 :: zscoretemplate ! ZSCORE template filename character*16 :: alg ! algorithm type (internal variable) common /inputy/ npdb,nscripts,ntwham,ntmremd,maxgen,banksize,csacu& &toff,avrd,minco,maxco,alg,pdbfiles,scripts,whamtemplate,mremdtempl& &ate,generation,maxminstep,do_optima, do_ga character*7 :: version = "1.1.2" character*50 :: info = "= Last modified by Lightnir 04/07/2012" real*8,allocatable :: bank(:,:),populacja(:,:),temppopulacja(:,:) integer*4, allocatable :: pairs(:)