X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=84cf3fd5e9b06f571f951cf9377b3878cbb3e1d4;hb=df3b21eb824f19b5758afbff2a5a9e34645c2e35;hp=d9992afa69c6335c14f3e336bedbb865bd36095d;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index d9992af..84cf3fd 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/DIMENSIONS @@ -16,7 +16,7 @@ C Max. number of coarse-grain processors parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres - parameter (maxres=1200) + parameter (maxres=800) C Appr. max. number of interaction sites integer maxres2,maxres6,mmaxres2 parameter (maxres2=2*maxres,maxres6=6*maxres) @@ -41,11 +41,11 @@ C Max. number of SC contacts parameter (maxcont=12*maxres) C Max. number of contacts per residue integer maxconts - parameter (maxconts=maxres/4) + parameter (maxconts=maxres) c parameter (maxconts=50) 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) C Max. number of types of dihedral angles & multiplicity of torsional barriers C and the number of terms in double torsionals integer maxtor,maxterm,maxlor,maxtermd_1,maxtermd_2 @@ -59,7 +59,7 @@ C virtual-bond angle bending potentials & mmaxtheterm=maxtheterm) c Max number of torsional terms in SCCOR integer maxterm_sccor - parameter (maxterm_sccor=3) + parameter (maxterm_sccor=6) C Max. number of lobes in SC distribution integer maxlob parameter (maxlob=4)