X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FDIMENSIONS;h=e9dac017c25732803a814f357b598c1900327145;hb=d77e0729cce11e54770cc36e568d7396f61ec45d;hp=c41916e7f2de0700fae7ad847c8d2414d5125147;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS index c41916e..e9dac01 100644 --- a/source/wham/src-M/DIMENSIONS +++ b/source/wham/src-M/DIMENSIONS @@ -13,8 +13,8 @@ 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=100) + parameter (maxres=130) +C parameter (maxres=100) C Appr. max. number of interaction sites integer maxres2 parameter (maxres2=2*maxres) @@ -39,7 +39,7 @@ 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) integer nntyp parameter (nntyp=ntyp*(ntyp+1)/2) C Max. number of types of dihedral angles & multiplicity of torsional barriers @@ -48,7 +48,7 @@ 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,