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