projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
ctest too large output from some tests
[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
da975d3
..
25dc20b
100644
(file)
--- a/
source/unres/src_MD-M/DIMENSIONS
+++ b/
source/unres/src_MD-M/DIMENSIONS
@@
-16,7
+16,7
@@
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=600)
+ parameter (maxres=1000)
C Appr. max. number of interaction sites
integer maxres2,maxres6,mmaxres2
parameter (maxres2=2*maxres,maxres6=6*maxres)
C Appr. max. number of interaction sites
integer maxres2,maxres6,mmaxres2
parameter (maxres2=2*maxres,maxres6=6*maxres)
@@
-28,7
+28,7
@@
C Max number of symetric chains
parameter (maxperm=120)
C Max. number of variables
integer maxvar
parameter (maxperm=120)
C Max. number of variables
integer maxvar
- parameter (maxvar=4*maxres)
+ parameter (maxvar=6*maxres)
C Max. number of groups of interactions that a given SC is involved in
integer maxint_gr
parameter (maxint_gr=2)
C Max. number of groups of interactions that a given SC is involved in
integer maxint_gr
parameter (maxint_gr=2)
@@
-95,7
+95,7
@@
C Max. number of conformations in the pool
parameter (max_pool=10)
C Number of energy components
integer n_ene,n_ene2
parameter (max_pool=10)
C Number of energy components
integer n_ene,n_ene2
- parameter (n_ene=23,n_ene2=2*n_ene)
+ parameter (n_ene=24,n_ene2=2*n_ene)
C Number of threads in deformation
integer max_thread,max_thread2
parameter (max_thread=4,max_thread2=2*max_thread)
C Number of threads in deformation
integer max_thread,max_thread2
parameter (max_thread=4,max_thread2=2*max_thread)
@@
-139,3
+139,6
@@
C Maximum number of conformation stored in cache on each CPU before sending
C to master; depends on nstex / ntwx ratio
integer max_cache_traj
parameter (max_cache_traj=10)
C to master; depends on nstex / ntwx ratio
integer max_cache_traj
parameter (max_cache_traj=10)
+C Maximum number of templates in homology-modeling restraints
+ integer max_template
+ parameter(max_template=25)