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max_template=50 wham cluster
[unres.git]
/
source
/
wham
/
src
/
DIMENSIONS
diff --git
a/source/wham/src/DIMENSIONS
b/source/wham/src/DIMENSIONS
index
f5438bc
..
7362a49
100644
(file)
--- a/
source/wham/src/DIMENSIONS
+++ b/
source/wham/src/DIMENSIONS
@@
-13,7
+13,7
@@
C Max. number of coarse-grain processors
c parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
c parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
- parameter (maxres=250)
+ parameter (maxres=800)
c parameter (maxres=400)
C Appr. max. number of interaction sites
integer maxres2
c parameter (maxres=400)
C Appr. max. number of interaction sites
integer maxres2
@@
-142,4
+142,7
@@
C Maximum number of terms in SC bond-stretching potential
parameter (maxbondterm=3)
C Maximum number of templates in homology-modeling restraints
integer max_template
parameter (maxbondterm=3)
C Maximum number of templates in homology-modeling restraints
integer max_template
- parameter(max_template=19)
+ parameter(max_template=50)
+c Maximum number of clusters of templates containing same fragments
+ integer maxclust
+ parameter(maxclust=1000)