wham src-M corrections to match unres energy

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

diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS
index 00fa77f..99a0454 100644 (file)
--- a/source/wham/src-M/DIMENSIONS
+++ b/source/wham/src-M/DIMENSIONS
@@ -14,7 +14,7 @@ c      parameter (max_cg_procs=maxprocs)
 C Max. number of AA residues
       integer maxres
 c      parameter (maxres=250)
-      parameter (maxres=100)
+      parameter (maxres=1000)
 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
@@ -143,3 +143,6 @@ 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)