debuging WHAM for constrains DEBUG ON

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

diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS
index c41916e..e9dac01 100644 (file)
--- a/source/wham/src-M/DIMENSIONS
+++ b/source/wham/src-M/DIMENSIONS
@@ -13,8 +13,8 @@ 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=100)
+      parameter (maxres=130)
+C      parameter (maxres=100)
 C Appr. max. number of interaction sites
       integer maxres2
       parameter (maxres2=2*maxres)
@@ -39,7 +39,7 @@ C Max. number of contacts per residue
       parameter (maxconts=maxres)
 C Number of AA types (at present only natural AA's will be handled
       integer ntyp,ntyp1
-      parameter (ntyp=20,ntyp1=ntyp+1)
+      parameter (ntyp=24,ntyp1=ntyp+1)
       integer nntyp
       parameter (nntyp=ntyp*(ntyp+1)/2)
 C Max. number of types of dihedral angles & multiplicity of torsional barriers
@@ -48,7 +48,7 @@ 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,