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dfa & multichain cluster
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
DIMENSIONS
diff --git
a/source/unres/src-HCD-5D/DIMENSIONS
b/source/unres/src-HCD-5D/DIMENSIONS
index
9803b23
..
ed21dfe
100644
(file)
--- a/
source/unres/src-HCD-5D/DIMENSIONS
+++ b/
source/unres/src-HCD-5D/DIMENSIONS
@@
-16,10
+16,10
@@
C Max. number of coarse-grain processors
parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
- parameter (maxres=2000)
+ parameter (maxres=10000)
C Max. number of AA residues per chain
integer maxres_chain
C Max. number of AA residues per chain
integer maxres_chain
- parameter (maxres_chain=800)
+ parameter (maxres_chain=1200)
C Max. number of cysteines and other bridging residues
integer max_cyst
parameter (max_cyst=100)
C Max. number of cysteines and other bridging residues
integer max_cyst
parameter (max_cyst=100)
@@
-32,7
+32,7
@@
C Max number of symetric chains
integer maxchain
parameter (maxchain=50)
integer maxperm
integer maxchain
parameter (maxchain=50)
integer maxperm
- parameter (maxperm=120)
+ parameter (maxperm=5040)
C Max. number of variables
integer maxvar
parameter (maxvar=6*maxres)
C Max. number of variables
integer maxvar
parameter (maxvar=6*maxres)