X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FDIMENSIONS;h=599bfa22113dd7156cfc3fc411024144207e1021;hb=29dca221ada246dbf1a26c9e0e4fe12ee1e6b978;hp=113d3d2e855f0a2ece7c33c930f42b2314896267;hpb=48ae9e01d2dd6571fa2cca6c704dc04f86e5fd7b;p=unres.git diff --git a/source/unres/src-HCD-5D/DIMENSIONS b/source/unres/src-HCD-5D/DIMENSIONS index 113d3d2..599bfa2 100644 --- 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 (maxres=3300) + parameter (maxres=5000) 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 - 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) @@ -154,7 +155,7 @@ C Maximum number of bins in SAXS restraints parameter (MaxSAXS=1000) C Maximum number of templates in homology-modeling restraints integer max_template - parameter(max_template=25) + parameter(max_template=50) c Maximum number of clusters of templates containing same fragments integer maxclust parameter(maxclust=1000)