X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FDIMENSIONS;h=d6f4b71d5a006ee4a17f52f449ffa41bb5a6eec0;hb=9f404689ffc3f2973cd1ca4f6711cb955a6867af;hp=ec026c74f63bd38f3a67c7345f9d0ff7e147d6c1;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/wham/src/DIMENSIONS b/source/wham/src/DIMENSIONS index ec026c7..d6f4b71 100644 --- a/source/wham/src/DIMENSIONS +++ b/source/wham/src/DIMENSIONS @@ -8,13 +8,13 @@ c implicit real*8 (a-h,o-z) C Max. number of processors. c parameter (maxprocs=128) C Max. number of fine-grain processors -c parameter (max_fg_procs=maxprocs) +C parameter (max_fg_procs=maxprocs) C Max. number of coarse-grain processors c parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres -c parameter (maxres=250) - parameter (maxres=400) + parameter (maxres=800) +c parameter (maxres=400) C Appr. max. number of interaction sites integer maxres2 parameter (maxres2=2*maxres) @@ -45,7 +45,7 @@ C and the number of terms in double torsionals 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, @@ -140,3 +140,6 @@ 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=25)