READ_HOMOL_FRAG wham

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

diff --git a/source/wham/src/DIMENSIONS b/source/wham/src/DIMENSIONS
index ec026c7..84066b1 100644 (file)
--- a/source/wham/src/DIMENSIONS
+++ b/source/wham/src/DIMENSIONS
@@ -8,13 +8,13 @@ c      implicit real*8 (a-h,o-z)
 C Max. number of processors.
 c      parameter (maxprocs=128)
 C Max. number of fine-grain processors
-c      parameter (max_fg_procs=maxprocs)
+C      parameter (max_fg_procs=maxprocs)
 C Max. number of coarse-grain processors
 c      parameter (max_cg_procs=maxprocs)
 C Max. number of AA residues
       integer maxres
-c      parameter (maxres=250)
-      parameter (maxres=400)
+      parameter (maxres=800)
+c      parameter (maxres=400)
 C Appr. max. number of interaction sites
       integer maxres2
       parameter (maxres2=2*maxres)
@@ -45,7 +45,7 @@ C and the number of terms in double torsionals
       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,
@@ -140,3 +140,9 @@ 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=25)
+c Maximum number of clusters of templates containing same fragments
+      integer maxclust
+      parameter(maxclust=1000)