X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FDIMENSIONS;h=35ddecd30510b7e2c4c4e7c334da4b46f3bbcf6c;hb=357148eb01c1ea7e5cfd362d34f1e1ab61c8f2a8;hp=099de280b89f5e9e597896aa72338aed3b794d77;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/cluster/wham/src/DIMENSIONS b/source/cluster/wham/src/DIMENSIONS index 099de28..35ddecd 100644 --- a/source/cluster/wham/src/DIMENSIONS +++ b/source/cluster/wham/src/DIMENSIONS @@ -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, @@ -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 +65,6 @@ 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 templates in homology-modeling restraints + integer max_template + parameter(max_template=19)