X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2FDIMENSIONS;h=699ed52577241c125a344dbb717d910dfe603ec1;hb=d3d989108f2d77732ef9ae4b6d0594ca94b3b25f;hp=e7a002b62dfbf5e98a85443b3634aef455f6d07a;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/cluster/wham/src-M/DIMENSIONS b/source/cluster/wham/src-M/DIMENSIONS index e7a002b..699ed52 100644 --- a/source/cluster/wham/src-M/DIMENSIONS +++ b/source/cluster/wham/src-M/DIMENSIONS @@ -6,10 +6,10 @@ ******************************************************************************** C Max. number of processors. integer maxprocs - parameter (maxprocs=16) + parameter (maxprocs=24) C Max. number of AA residues integer maxres,maxres2 - parameter (maxres=650) + parameter (maxres=1140) C Appr. max. number of interaction sites parameter (maxres2=2*maxres) C Max. number of variables @@ -36,7 +36,7 @@ C Max. number of types of dihedral angles & multiplicity of torsional barriers parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8) c Max number of torsional terms in SCCOR integer maxterm_sccor - parameter (maxterm_sccor=3) + parameter (maxterm_sccor=6) C Max. number of residue types and parameters in expressions for C virtual-bond angle bending potentials integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,