X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FDIMENSIONS;h=211ffe3a4901c2fe06034dd72f90717d9e484af4;hb=173eeeffac1b4b8fb8a368ddd432df8a038fc980;hp=806387c162630c276f067831264c943d2df44308;hpb=e7fd0c7782f6f624b41009800df8e3d5e0e9add5;p=unres.git diff --git a/source/cluster/wham/src/DIMENSIONS b/source/cluster/wham/src/DIMENSIONS index 806387c..211ffe3 100644 --- a/source/cluster/wham/src/DIMENSIONS +++ b/source/cluster/wham/src/DIMENSIONS @@ -9,7 +9,7 @@ C Max. number of processors. parameter (maxprocs=16) C Max. number of AA residues integer maxres,maxres2 - parameter (maxres=650) + parameter (maxres=800) C Appr. max. number of interaction sites parameter (maxres2=2*maxres) C Max. number of variables @@ -55,7 +55,7 @@ C Max. number of dihedral angle constraints parameter (maxdih_constr=maxres) C Max. number of energy components integer max_ene - parameter (max_ene=20) + parameter (max_ene=27) C Max. number of temperatures integer maxt parameter (maxT=5) @@ -65,3 +65,9 @@ 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=50) +c Maximum number of clusters of templates containing same fragments + integer maxclust + parameter(maxclust=1000)