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xdrf2pdb Adam's PBC correction
[unres.git]
/
source
/
xdrfpdb
/
src-M
/
DIMENSIONS
diff --git
a/source/xdrfpdb/src-M/DIMENSIONS
b/source/xdrfpdb/src-M/DIMENSIONS
index
43e77a2
..
3bfc799
100644
(file)
--- a/
source/xdrfpdb/src-M/DIMENSIONS
+++ b/
source/xdrfpdb/src-M/DIMENSIONS
@@
-15,7
+15,7
@@
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=1500)
+ parameter (maxres=5000)
C Appr. max. number of interaction sites
integer maxres2,maxres6,mmaxres6
parameter (maxres2=2*maxres,maxres6=6*maxres)
C Appr. max. number of interaction sites
integer maxres2,maxres6,mmaxres6
parameter (maxres2=2*maxres,maxres6=6*maxres)
@@
-132,3
+132,8
@@
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 Max number of symetric chains
+ integer maxchain
+ parameter (maxchain=50)
+ integer maxperm
+ parameter (maxperm=120)