X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2FDIMENSIONS;h=e6a29b383b6a2f852b9a5baca642261ff574e994;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;hp=ffd3a80df7c983ef3fb3d168ceb9450a2500c0be;hpb=32caa3b64eb94b90fa9fd402b77263ea89efffa1;p=unres.git

diff --git a/source/cluster/wham/src-HCD/DIMENSIONS b/source/cluster/wham/src-HCD/DIMENSIONS
index ffd3a80..e6a29b3 100644
--- 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)