X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2FDIMENSIONS;h=e07f6dcaa5bb7fe8e37c34700032dc1d9005ff97;hb=25a2005fefa69509c2e1eaf90847e897d81a903e;hp=c41916e7f2de0700fae7ad847c8d2414d5125147;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS
index c41916e..e07f6dc 100644
--- a/source/wham/src-M/DIMENSIONS
+++ b/source/wham/src-M/DIMENSIONS
@@ -14,13 +14,13 @@ 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)
 C Max number of symetries
        integer maxsym,maxperm
-       parameter (maxsym=5,maxperm=120)
+       parameter (maxsym=15,maxperm=120)
 C Max. number of variables
       integer maxvar
       parameter (maxvar=4*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,
@@ -61,7 +61,7 @@ C Max. number of lobes in SC distribution
       parameter (maxlob=4)
 C Max. number of S-S bridges
       integer maxss
-      parameter (maxss=20)
+      parameter (maxss=60)
 C Max. number of dihedral angle constraints
       integer maxdih_constr
       parameter (maxdih_constr=maxres)
@@ -143,3 +143,13 @@ 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=50)
+C Maximum number of bins in SAXS restraints
+      integer MaxSAXS
+      parameter (MaxSAXS=1000)
+c Maximum number of clusters of templates containing same fragments
+      integer maxclust
+      parameter(maxclust=1000)
+