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make cp src-HCD-5D
[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
0ef9173
..
113d3d2
100644
(file)
--- a/
source/unres/src-HCD-5D/DIMENSIONS
+++ b/
source/unres/src-HCD-5D/DIMENSIONS
@@
-16,12
+16,16
@@
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
-c parameter (maxres=3300)
- parameter (maxres=1200)
+ parameter (maxres=3300)
+C Max. number of AA residues per chain
+ integer maxres_chain
+ parameter (maxres_chain=1200)
C Appr. max. number of interaction sites
C Appr. max. number of interaction sites
- integer maxres2,maxres6,mmaxres2
+ integer maxres2,maxres6,maxres2_chain,mmaxres2,mmaxres2_chain
parameter (maxres2=2*maxres,maxres6=6*maxres)
parameter (mmaxres2=(maxres2*(maxres2+1)/2))
parameter (maxres2=2*maxres,maxres6=6*maxres)
parameter (mmaxres2=(maxres2*(maxres2+1)/2))
+ parameter (maxres2_chain=2*maxres_chain,
+ & mmaxres2_chain=maxres2_chain*(maxres2_chain+1)/2)
C Max number of symetric chains
integer maxchain
parameter (maxchain=50)
C Max number of symetric chains
integer maxchain
parameter (maxchain=50)
@@
-36,7
+40,7
@@
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-1)*(maxres-2)/2)
+ parameter (maxdim=(maxres_chain-1)*(maxres_chain-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)