ctest wham & cluster src-M

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

diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS
index dcb64c3..2fe913c 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=800)
+      parameter (maxres=1000)
 C Appr. max. number of interaction sites
       integer maxres2
       parameter (maxres2=2*maxres)
@@ -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)
@@ -146,3 +146,6 @@ C Maximum number of terms in SC bond-stretching potential
 C Maximum number of templates in homology-modeling restraints
       integer max_template
       parameter(max_template=25)
+C Maximum number of bins in SAXS restraints
+      integer MaxSAXS
+      parameter (MaxSAXS=1000)