corrections

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

diff --git a/source/cluster/wham/src-HCD/DIMENSIONS b/source/cluster/wham/src-HCD/DIMENSIONS
index ffd3a80..e6a29b3 100644 (file)
--- a/source/cluster/wham/src-HCD/DIMENSIONS
+++ b/source/cluster/wham/src-HCD/DIMENSIONS
@@ -11,6 +11,9 @@ C Max. number of AA residues
       integer maxres,maxres2
 c      parameter (maxres=1200)
       parameter (maxres=5000)
+C Max. number of cysteines and other bridging residues
+      integer max_cyst
+      parameter (max_cyst=100)
 C Appr. max. number of interaction sites
       parameter (maxres2=2*maxres)
 C Max. number of variables
@@ -34,6 +37,16 @@ C Max. number of SC contacts
 C Max. number of contacts per residue
       integer maxconts
       parameter (maxconts=maxres)
+C Max. number of interactions within cutoff per residue
+      integer maxint_res
+      parameter (maxint_res=200)
+C Max. number od residues within distance cufoff from a given residue to
+C     include in template-based/contact distance restraints.
+      integer maxcont_res
+      parameter (maxcont_res=200)
+C Max. number of distance/contact-distance restraints
+      integer maxdim_cont
+      parameter (maxdim_cont=maxres*maxcont_res)
 C Number of AA types (at present only natural AA's will be handled
       integer ntyp,ntyp1
       parameter (ntyp=24,ntyp1=ntyp+1)