X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-NEWSC%2FDIMENSIONS.ZSCOPT;fp=source%2Fwham%2Fsrc-NEWSC%2FDIMENSIONS.ZSCOPT;h=0d8e64b89eccb0953477d4fb737bef5a0df76c67;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git

diff --git a/source/wham/src-NEWSC/DIMENSIONS.ZSCOPT b/source/wham/src-NEWSC/DIMENSIONS.ZSCOPT
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+      integer maxstr,max_ene,maxprot,maxclass,maxfile_prot,maxobj,
+     &  maxstr_proc, maxclass1
+c Maximum number of structures in the database, energy components, proteins,
+c and structural classes
+c#ifdef JUBL
+      parameter (maxstr=200000,max_ene=21,maxprot=7,maxclass=5000)
+      parameter (maxclass1=10)
+c Maximum number of structures to be dealt with by one processor
+      parameter (maxstr_proc=20000)
+c Maximum number of temperatures
+      integer maxT
+      parameter (maxT=10)
+c Maximum number of batches
+      integer maxbatch
+      parameter (maxbatch=1)
+c Maximum number of energy/Zscore gaps for a single protein
+      integer maxgap
+      parameter (maxgap=2*maxclass1)
+c Maximum number of the components of the target function
+      parameter (maxobj=maxgap*maxprot*maxT)
+c Maximum number of files with energies/coordinates
+      parameter (maxfile_prot=100)
+c Maximum number of grid points in energy map evaluation
+      integer max_x,max_y,max_minim
+      parameter (max_x=200,max_y=200,max_minim=1000)
+c Maximum number of processors
+      integer MaxProcs
+      parameter (MaxProcs = 2048)
+c Maximum number of optimizable parameters
+      integer max_paropt
+      parameter (max_paropt=500)
+c Maximum number of fragments
+c      integer maxfrag
+c      parameter (maxfrag=0)
+c Maximum number of sublevels
+      integer maxlev
+      parameter (maxlev=maxclass)
+c Maximum number of grid points in temperature
+      integer MaxGridT
+      parameter (MaxGridT=2000)