X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2FDIMENSIONS;h=a730088b9069d11e87c4834fb9dc03666d702d74;hb=22ea58d3be4c7c625b9c5fb0e9f6d1b2bf7428f6;hp=1bcdf793e6440f010602572c08ca76f5a3e5fe30;hpb=6ad9fa7a568f7405c3f94717544d6ac4c732d86e;p=unres.git diff --git a/source/cluster/wham/src-M/DIMENSIONS b/source/cluster/wham/src-M/DIMENSIONS index 1bcdf79..a730088 100644 --- a/source/cluster/wham/src-M/DIMENSIONS +++ b/source/cluster/wham/src-M/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 @@ -30,7 +30,7 @@ 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) C Max. number of types of dihedral angles & multiplicity of torsional barriers integer maxtor,maxterm,maxlor,maxtermd_1,maxtermd_2 parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8) @@ -60,7 +60,7 @@ C Max number of symetric chains parameter (maxperm=120) C Max. number of energy components integer max_ene - parameter (max_ene=21) + parameter (max_ene=26) C Max. number of temperatures integer maxt parameter (maxT=5)