X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FDIMENSIONS;h=4236776ea9399aa3883318313dc8b58cd1288004;hb=ae315105cef83bbcab70e2778ef92459690ee784;hp=ed21dfe57a77dcae16f9ba2427f5eded1dc302c0;hpb=76d1e8aa14e4e16df2d617758794197cf50ddd57;p=unres.git diff --git a/source/unres/src-HCD-5D/DIMENSIONS b/source/unres/src-HCD-5D/DIMENSIONS index ed21dfe..4236776 100644 --- a/source/unres/src-HCD-5D/DIMENSIONS +++ b/source/unres/src-HCD-5D/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=10000) + parameter (maxres=20000) C Max. number of AA residues per chain integer maxres_chain parameter (maxres_chain=1200) @@ -53,14 +53,15 @@ C Max. number of contacts per residue c parameter (maxconts=50) C Max. number of interactions within cutoff per residue integer maxint_res - parameter (maxint_res=200) + parameter (maxint_res=250) C Max. number od residues within distance cufoff from a given residue to C include in template-based/contact distance restraints. integer maxcont_res parameter (maxcont_res=200) C Max. number of distance/contact-distance restraints integer maxdim_cont - parameter (maxdim_cont=maxres*maxcont_res) +c parameter (maxdim_cont=maxres*maxcont_res) + parameter (maxdim_cont=maxres*1000) C Number of AA types (at present only natural AA's will be handled integer ntyp,ntyp1 parameter (ntyp=24,ntyp1=ntyp+1)