READ_HOMOL_FRAG unres src_MD-M

[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 5fccbf3..5098f70 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)
@@ -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)
@@ -95,7 +95,7 @@ C Max. number of conformations in the pool
       parameter (max_pool=10)
 C Number of energy components
       integer n_ene,n_ene2
-      parameter (n_ene=24,n_ene2=2*n_ene)
+      parameter (n_ene=25,n_ene2=2*n_ene)
 C Number of threads in deformation
       integer max_thread,max_thread2
       parameter (max_thread=4,max_thread2=2*max_thread)     
@@ -138,7 +138,13 @@ 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=25)
+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)