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wham scratch & unres symm
[unres.git]
/
source
/
cluster
/
wham
/
src-HCD-5D
/
DIMENSIONS
diff --git
a/source/cluster/wham/src-HCD-5D/DIMENSIONS
b/source/cluster/wham/src-HCD-5D/DIMENSIONS
index
e6a29b3
..
7e90427
100644
(file)
--- a/
source/cluster/wham/src-HCD-5D/DIMENSIONS
+++ b/
source/cluster/wham/src-HCD-5D/DIMENSIONS
@@
-10,7
+10,7
@@
C Max. number of processors.
C Max. number of AA residues
integer maxres,maxres2
c parameter (maxres=1200)
C Max. number of AA residues
integer maxres,maxres2
c parameter (maxres=1200)
- parameter (maxres=5000)
+ parameter (maxres=7000)
C Max. number of cysteines and other bridging residues
integer max_cyst
parameter (max_cyst=100)
C Max. number of cysteines and other bridging residues
integer max_cyst
parameter (max_cyst=100)
@@
-26,7
+26,7
@@
C Max number of symetric chains
integer maxchain
parameter (maxchain=50)
integer maxperm
integer maxchain
parameter (maxchain=50)
integer maxperm
- parameter (maxperm=120)
+ parameter (maxperm=5040)
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
@@
-46,7
+46,7
@@
C include in template-based/contact distance restraints.
parameter (maxcont_res=200)
C Max. number of distance/contact-distance restraints
integer maxdim_cont
parameter (maxcont_res=200)
C Max. number of distance/contact-distance restraints
integer maxdim_cont
- parameter (maxdim_cont=maxres*maxcont_res)
+ parameter (maxdim_cont=maxres*1000)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
parameter (ntyp=24,ntyp1=ntyp+1)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
parameter (ntyp=24,ntyp1=ntyp+1)