X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FDIMENSIONS;h=2fe913cb82a5adc5c4158e82edef8fc7e9f94078;hb=058b4e72d61c149f66570d580bda9b47464d9df6;hp=00fa77fe9e0f55bd67f1118674b35315c146ce65;hpb=3509d76c6e5552809caea3484f5889a2e51a011a;p=unres.git diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS index 00fa77f..2fe913c 100644 --- a/source/wham/src-M/DIMENSIONS +++ b/source/wham/src-M/DIMENSIONS @@ -14,7 +14,7 @@ c parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres c parameter (maxres=250) - parameter (maxres=100) + parameter (maxres=1000) C Appr. max. number of interaction sites integer maxres2 parameter (maxres2=2*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 @@ -61,7 +61,7 @@ C Max. number of lobes in SC distribution parameter (maxlob=4) C Max. number of S-S bridges integer maxss - parameter (maxss=20) + parameter (maxss=60) C Max. number of dihedral angle constraints integer maxdih_constr parameter (maxdih_constr=maxres) @@ -143,3 +143,9 @@ C Maximum number of SC local term fitting function coefficiants C Maximum number of terms in SC bond-stretching potential integer maxbondterm parameter (maxbondterm=3) +C Maximum number of templates in homology-modeling restraints + integer max_template + parameter(max_template=25) +C Maximum number of bins in SAXS restraints + integer MaxSAXS + parameter (MaxSAXS=1000)