max_template=50 wham cluster

[unres.git] / source / cluster / wham / src / DIMENSIONS

diff --git a/source/cluster/wham/src/DIMENSIONS b/source/cluster/wham/src/DIMENSIONS
index 099de28..211ffe3 100644 (file)
--- a/source/cluster/wham/src/DIMENSIONS
+++ b/source/cluster/wham/src/DIMENSIONS
@@ -9,7 +9,7 @@ C Max. number of processors.
       parameter (maxprocs=16)
 C Max. number of AA residues
       integer maxres,maxres2
-      parameter (maxres=650)
+      parameter (maxres=800)
 C Appr. max. number of interaction sites
       parameter (maxres2=2*maxres)
 C Max. number of variables
@@ -36,7 +36,7 @@ C Max. number of types of dihedral angles & multiplicity of torsional barriers
       parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
 c Max number of torsional terms in SCCOR
       integer maxterm_sccor
-      parameter (maxterm_sccor=3)
+      parameter (maxterm_sccor=6)
 C Max. number of residue types and parameters in expressions for
 C virtual-bond angle bending potentials
       integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
@@ -55,7 +55,7 @@ C Max. number of dihedral angle constraints
       parameter (maxdih_constr=maxres)
 C Max. number of energy components
       integer max_ene
-      parameter (max_ene=20)
+      parameter (max_ene=27)
 C Max. number of temperatures
       integer maxt
       parameter (maxT=5)
@@ -65,3 +65,9 @@ C Maximum number of SC local term fitting function coefficiants
 C Maximum number of terms in SC bond-stretching potential
       integer maxbondterm
       parameter (maxbondterm=3)
+C Maximum number of templates in homology-modeling restraints
+      integer max_template
+      parameter(max_template=50)
+c Maximum number of clusters of templates containing same fragments
+      integer maxclust
+      parameter(maxclust=1000)