X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=6815ae9216c3c71ab01b2c906e3c333e2d1cf91c;hb=13a4298e765f7ef6af22b3a588b205ae4dcd0cee;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..6815ae9 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/DIMENSIONS @@ -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)