X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FDIMENSIONS;h=b1d6ee8256aeb154516af26a323587af6a728f1b;hb=1102b0fb298602dd1f056bfe4de1d42e350f16f3;hp=00fa77fe9e0f55bd67f1118674b35315c146ce65;hpb=62e5c36dfb2d05728ddba047bae10c9cf3287e38;p=unres.git diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS index 00fa77f..b1d6ee8 100644 --- a/source/wham/src-M/DIMENSIONS +++ b/source/wham/src-M/DIMENSIONS @@ -14,13 +14,13 @@ c parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres c parameter (maxres=250) - parameter (maxres=100) + parameter (maxres=500) C Appr. max. number of interaction sites integer maxres2 parameter (maxres2=2*maxres) C Max number of symetries integer maxsym,maxperm - parameter (maxsym=5,maxperm=120) + parameter (maxsym=12,maxperm=120) C Max. number of variables integer maxvar parameter (maxvar=4*maxres) @@ -39,7 +39,7 @@ C Max. number of contacts per residue parameter (maxconts=maxres) C Number of AA types (at present only natural AA's will be handled integer ntyp,ntyp1 - parameter (ntyp=20,ntyp1=ntyp+1) + parameter (ntyp=24,ntyp1=ntyp+1) integer nntyp parameter (nntyp=ntyp*(ntyp+1)/2) C Max. number of types of dihedral angles & multiplicity of torsional barriers