Adam's unres update

[unres.git] / source / unres / src-HCD-5D / DIMENSIONS

diff --git a/source/unres/src-HCD-5D/DIMENSIONS b/source/unres/src-HCD-5D/DIMENSIONS
index 9803b23..3c2c924 100644 (file)
--- a/source/unres/src-HCD-5D/DIMENSIONS
+++ b/source/unres/src-HCD-5D/DIMENSIONS
@@ -16,10 +16,11 @@ C Max. number of coarse-grain processors
       parameter (max_cg_procs=maxprocs)
 C Max. number of AA residues
       integer maxres
-      parameter (maxres=2000)
+c      parameter (maxres=70000)
+      parameter (maxres=1000)
 C Max. number of AA residues per chain
       integer maxres_chain
-      parameter (maxres_chain=800)
+      parameter (maxres_chain=1200)
 C Max. number of cysteines and other bridging residues
       integer max_cyst
       parameter (max_cyst=100)
@@ -30,9 +31,10 @@ C Appr. max. number of interaction sites
      &           mmaxres2_chain=maxres2_chain*(maxres2_chain+1)/2)
 C Max number of symetric chains
       integer maxchain
-      parameter (maxchain=50)
+      parameter (maxchain=250)
       integer maxperm
-      parameter (maxperm=120) 
+c      parameter (maxperm=5040) 
+      parameter (maxperm=3628800) 
 C Max. number of variables
       integer maxvar
       parameter (maxvar=6*maxres)
@@ -42,8 +44,8 @@ C Max. number of groups of interactions that a given SC is involved in
 C Max. number of derivatives of virtual-bond and side-chain vectors in theta
 C or phi.
       integer maxdim
-c      parameter (maxdim=(maxres_chain-1)*(maxres_chain-2)/2)
-      parameter (maxdim=(maxres-1)*(maxres-2)/2)
+      parameter (maxdim=(maxres_chain-1)*(maxres_chain-2)/2)
+c      parameter (maxdim=(maxres-1)*(maxres-2)/2)
 C Max. number of SC contacts
       integer maxcont
       parameter (maxcont=12*maxres)
@@ -53,7 +55,7 @@ C Max. number of contacts per residue
 c      parameter (maxconts=50)
 C Max. number of interactions within cutoff per residue
       integer maxint_res
-      parameter (maxint_res=200)
+      parameter (maxint_res=250)
 C Max. number od residues within distance cufoff from a given residue to 
 C     include in template-based/contact distance restraints.
       integer maxcont_res