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Merge branch 'devel' into AFM
[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
6815ae9
..
fc17408
100644
(file)
--- a/
source/unres/src_MD-M/DIMENSIONS
+++ b/
source/unres/src_MD-M/DIMENSIONS
@@
-6,17
+6,17
@@
********************************************************************************
C Max. number of processors.
integer maxprocs
********************************************************************************
C Max. number of processors.
integer maxprocs
- parameter (maxprocs=2048)
+ parameter (maxprocs=1028)
C Max. number of fine-grain processors
integer max_fg_procs
c parameter (max_fg_procs=maxprocs)
C Max. number of fine-grain processors
integer max_fg_procs
c parameter (max_fg_procs=maxprocs)
- parameter (max_fg_procs=512)
+ parameter (max_fg_procs=256)
C Max. number of coarse-grain processors
integer max_cg_procs
parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
C Max. number of coarse-grain processors
integer max_cg_procs
parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
- parameter (maxres=1200)
+ parameter (maxres=600)
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)
@@
-41,7
+41,7
@@
C Max. number of SC contacts
parameter (maxcont=12*maxres)
C Max. number of contacts per residue
integer maxconts
parameter (maxcont=12*maxres)
C Max. number of contacts per residue
integer maxconts
- parameter (maxconts=maxres/4)
+ parameter (maxconts=maxres)
c parameter (maxconts=50)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
c parameter (maxconts=50)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
@@
-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=21,n_ene2=2*n_ene)
+ parameter (n_ene=25,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)