respa cleaning (my bug) and shielding MPI and previous bug cleaning

[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 02deda8..90fdb7d 100644 (file)
--- a/source/unres/src_MD-M/DIMENSIONS
+++ b/source/unres/src_MD-M/DIMENSIONS
@@ -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)
@@ -50,7 +50,7 @@ C Max. number of types of dihedral angles & multiplicity of torsional barriers
 C and the number of terms in double torsionals
       integer maxtor,maxterm,maxlor,maxtermd_1,maxtermd_2,maxtermkcc
       parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
-      parameter (maxtermkcc=20)
+      parameter (maxtermkcc=40)
 C Max. number of residue types and parameters in expressions for 
 C virtual-bond angle bending potentials
       integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,