max_template=50

[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 0ef9173..599bfa2 100644 (file)
--- a/source/unres/src-HCD-5D/DIMENSIONS
+++ b/source/unres/src-HCD-5D/DIMENSIONS
@@ -16,12 +16,16 @@ C Max. number of coarse-grain processors
       parameter (max_cg_procs=maxprocs)
 C Max. number of AA residues
       integer maxres
-c      parameter (maxres=3300)
-      parameter (maxres=1200)
+      parameter (maxres=5000)
+C Max. number of AA residues per chain
+      integer maxres_chain
+      parameter (maxres_chain=1200)
 C Appr. max. number of interaction sites
-      integer maxres2,maxres6,mmaxres2
+      integer maxres2,maxres6,maxres2_chain,mmaxres2,mmaxres2_chain
       parameter (maxres2=2*maxres,maxres6=6*maxres)
       parameter (mmaxres2=(maxres2*(maxres2+1)/2))
+      parameter (maxres2_chain=2*maxres_chain,
+     &           mmaxres2_chain=maxres2_chain*(maxres2_chain+1)/2)
 C Max number of symetric chains
       integer maxchain
       parameter (maxchain=50)
@@ -36,6 +40,7 @@ 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)
 C Max. number of SC contacts
       integer maxcont
@@ -150,7 +155,7 @@ C Maximum number of bins in SAXS restraints
       parameter (MaxSAXS=1000)
 C Maximum number of templates in homology-modeling restraints
       integer max_template
-      parameter(max_template=25)
+      parameter(max_template=50)
 c Maximum number of clusters of templates containing same fragments
       integer maxclust
       parameter(maxclust=1000)