isnan_pgi

[unres.git] / source / unres / src_MD-M / DIMENSIONS

diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS
index 70ce031..635b007 100644 (file)
--- a/source/unres/src_MD-M/DIMENSIONS
+++ b/source/unres/src_MD-M/DIMENSIONS
@@ -16,7 +16,7 @@ C Max. number of coarse-grain processors
       parameter (max_cg_procs=maxprocs)
 C Max. number of AA residues
       integer maxres
-      parameter (maxres=800)
+      parameter (maxres=1000)
 C Appr. max. number of interaction sites
       integer maxres2,maxres6,mmaxres2
       parameter (maxres2=2*maxres,maxres6=6*maxres)
@@ -28,7 +28,7 @@ C Max number of symetric chains
       parameter (maxperm=120) 
 C Max. number of variables
       integer maxvar
-      parameter (maxvar=4*maxres)
+      parameter (maxvar=6*maxres)
 C Max. number of groups of interactions that a given SC is involved in
       integer maxint_gr
       parameter (maxint_gr=2)
@@ -65,7 +65,7 @@ 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)
@@ -138,7 +138,7 @@ C Maximum number of terms in SC bond-stretching potential
 C Maximum number of conformation stored in cache on each CPU before sending
 C to master; depends on nstex / ntwx ratio
       integer max_cache_traj
-      parameter (max_cache_traj=10)
+      parameter (max_cache_traj=200)
 C Maximum number of templates in homology-modeling restraints
       integer max_template
-      parameter(max_template=19)
+      parameter(max_template=25)