X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fga%2Fcommon.inc;h=343d7c8c4c60ecb4f360aaa1dc7e549b00f3aaec;hb=56c5d798bd1ac963ac768c9f27747c928e4e795f;hp=b392108b75bebc14b2d0b05f4e2415b7eabad208;hpb=1ec0b628c4a65830ef2e63b6b47ef4e4604d37fa;p=unres.git

diff --git a/source/ga/common.inc b/source/ga/common.inc
index b392108..343d7c8 100644
--- a/source/ga/common.inc
+++ b/source/ga/common.inc
@@ -13,19 +13,20 @@
       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.
-      logical :: do_ga = .false.
-      logical :: do_fs = .false.
-      character*32 :: pdbfiles(maxnpdb)
-      character*32 :: scripts(maxscripts)
-      character*32 :: whamtemplate(maxnpdb)
-      character*32 :: mremdtemplate(maxnpdb)
-      character*16 :: alg
+      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 = "1.1.1"
-      character*50 :: info = "= Last modified by Lightnir 09/03/2012"
+      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(:)