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ctest wham & cluster src-M
[unres.git]
/
source
/
wham
/
src-M
/
DIMENSIONS
diff --git
a/source/wham/src-M/DIMENSIONS
b/source/wham/src-M/DIMENSIONS
index
dcb64c3
..
2fe913c
100644
(file)
--- a/
source/wham/src-M/DIMENSIONS
+++ b/
source/wham/src-M/DIMENSIONS
@@
-14,7
+14,7
@@
c parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
c parameter (maxres=250)
C Max. number of AA residues
integer maxres
c parameter (maxres=250)
- parameter (maxres=800)
+ parameter (maxres=1000)
C Appr. max. number of interaction sites
integer maxres2
parameter (maxres2=2*maxres)
C Appr. max. number of interaction sites
integer maxres2
parameter (maxres2=2*maxres)
@@
-61,7
+61,7
@@
C Max. number of lobes in SC distribution
parameter (maxlob=4)
C Max. number of S-S bridges
integer maxss
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)
C Max. number of dihedral angle constraints
integer maxdih_constr
parameter (maxdih_constr=maxres)
@@
-146,3
+146,6
@@
C Maximum number of terms in SC bond-stretching potential
C Maximum number of templates in homology-modeling restraints
integer max_template
parameter(max_template=25)
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)