X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2FDIMENSIONS;h=ffd3a80df7c983ef3fb3d168ceb9450a2500c0be;hb=225ad1b2239a64aee5d46570c477e74c19cf6ef7;hp=80ac845e0690fb9ce1042a62bd3a55cfab088a98;hpb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;p=unres.git diff --git a/source/cluster/wham/src-HCD/DIMENSIONS b/source/cluster/wham/src-HCD/DIMENSIONS index 80ac845..ffd3a80 100644 --- a/source/cluster/wham/src-HCD/DIMENSIONS +++ b/source/cluster/wham/src-HCD/DIMENSIONS @@ -9,8 +9,8 @@ C Max. number of processors. parameter (maxprocs=48) C Max. number of AA residues integer maxres,maxres2 - parameter (maxres=1200) -c parameter (maxres=3300) +c parameter (maxres=1200) + parameter (maxres=5000) C Appr. max. number of interaction sites parameter (maxres2=2*maxres) C Max. number of variables @@ -85,3 +85,6 @@ 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 generated conformations + integer mxio + parameter (mxio=2)