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Adam's changes
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
DIMENSIONS
diff --git
a/source/unres/src-HCD-5D/DIMENSIONS
b/source/unres/src-HCD-5D/DIMENSIONS
index
113d3d2
..
75287f5
100644
(file)
--- a/
source/unres/src-HCD-5D/DIMENSIONS
+++ b/
source/unres/src-HCD-5D/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=3300)
+ parameter (maxres=5000)
C Max. number of AA residues per chain
integer maxres_chain
parameter (maxres_chain=1200)
C Max. number of AA residues per chain
integer maxres_chain
parameter (maxres_chain=1200)
@@
-40,7
+40,8
@@
C Max. number of groups of interactions that a given SC is involved in
C Max. number of derivatives of virtual-bond and side-chain vectors in theta
C or phi.
integer maxdim
C Max. number of derivatives of virtual-bond and side-chain vectors in theta
C or phi.
integer maxdim
- parameter (maxdim=(maxres_chain-1)*(maxres_chain-2)/2)
+c parameter (maxdim=(maxres_chain-1)*(maxres_chain-2)/2)
+ parameter (maxdim=(maxres-1)*(maxres-2)/2)
C Max. number of SC contacts
integer maxcont
parameter (maxcont=12*maxres)
C Max. number of SC contacts
integer maxcont
parameter (maxcont=12*maxres)