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wham SAXS cutoff
[unres.git]
/
source
/
wham
/
src
/
DIMENSIONS
diff --git
a/source/wham/src/DIMENSIONS
b/source/wham/src/DIMENSIONS
index
4d9279d
..
d6f4b71
100644
(file)
--- a/
source/wham/src/DIMENSIONS
+++ b/
source/wham/src/DIMENSIONS
@@
-8,13
+8,13
@@
c implicit real*8 (a-h,o-z)
C Max. number of processors.
c parameter (maxprocs=128)
C Max. number of fine-grain processors
C Max. number of processors.
c parameter (maxprocs=128)
C Max. number of fine-grain processors
-c parameter (max_fg_procs=maxprocs)
+C parameter (max_fg_procs=maxprocs)
C Max. number of coarse-grain processors
c parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
C Max. number of coarse-grain processors
c parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
-c parameter (maxres=250)
- parameter (maxres=400)
+ parameter (maxres=800)
+c parameter (maxres=400)
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)
@@
-140,3
+140,6
@@
C Maximum number of SC local term fitting function coefficiants
C Maximum number of terms in SC bond-stretching potential
integer maxbondterm
parameter (maxbondterm=3)
C Maximum number of terms in SC bond-stretching potential
integer maxbondterm
parameter (maxbondterm=3)
+C Maximum number of templates in homology-modeling restraints
+ integer max_template
+ parameter(max_template=25)