X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=b14b323a5f8efe23f42aa216c75c8710579bc16e;hb=283df7ba861e2e20e7c3ca4fa21486ab602fb562;hp=4c9a85c94ced9b3da0cde2d4b1917e8156e5b6d9;hpb=4d529be4ef1a7949c746d81eba8150defe9d005d;p=unres.git

diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS
index 4c9a85c..b14b323 100644
--- 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=600)
+      parameter (maxres=800)
 C Appr. max. number of interaction sites
       integer maxres2,maxres6,mmaxres2
       parameter (maxres2=2*maxres,maxres6=6*maxres)
@@ -40,9 +40,9 @@ C Max. number of SC contacts
       integer maxcont
       parameter (maxcont=12*maxres)
 C Max. number of contacts per residue
-      integer maxconts
+      integer maxconts,maxcontsshi
       parameter (maxconts=maxres)
-c      parameter (maxconts=50)
+      parameter (maxcontsshi=50)
 C Number of AA types (at present only natural AA's will be handled
       integer ntyp,ntyp1
       parameter (ntyp=24,ntyp1=ntyp+1)
@@ -140,3 +140,6 @@ 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)
+C NOSE-HOOVER
+      integer maxmnh,maxyosh
+      parameter(maxmnh=10,maxyosh=5)