X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=c8a95df9acf1cf9c08ee75b0abf082daa8c6e6bf;hb=76bcdcd9a8e98434a28acfbd1654c7e78c54b2f4;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..c8a95df 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/DIMENSIONS @@ -28,7 +28,7 @@ C Max number of symetric chains parameter (maxperm=120) C Max. number of variables integer maxvar - parameter (maxvar=4*maxres) + parameter (maxvar=6*maxres) C Max. number of groups of interactions that a given SC is involved in integer maxint_gr parameter (maxint_gr=2) @@ -45,7 +45,7 @@ C Max. number of contacts per residue 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)