X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=bda06b4923e1f53abeef1de6b5914432f1e3f4c6;hb=294e17e0754856766b19c5296e6f20d2bfab579f;hp=5131f4e91a16a66b17a700d32c47296cc64125ea;hpb=2acc9917f7452c3a59a242e6033bea16f846cbfe;p=unres.git diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index 5131f4e..bda06b4 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 @@ -95,7 +95,7 @@ C Max. number of conformations in the pool parameter (max_pool=10) C Number of energy components integer n_ene,n_ene2 - parameter (n_ene=21,n_ene2=2*n_ene) + parameter (n_ene=25,n_ene2=2*n_ene) C Number of threads in deformation integer max_thread,max_thread2 parameter (max_thread=4,max_thread2=2*max_thread)