X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FDIMENSIONS;h=c53aeb2fc73539589c59d4e2229995ac067c2031;hb=f4fee4f336542f1e52bca12b8d97c42f60156b5d;hp=099de280b89f5e9e597896aa72338aed3b794d77;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/cluster/wham/src/DIMENSIONS b/source/cluster/wham/src/DIMENSIONS index 099de28..c53aeb2 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 @@ -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,