X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fcontrol_data.f90;h=1e2bbf950b436c46d3c216e8bc6eebff83cbac29;hb=5caab5415c9f7622a0d0085135a520b49f5cd4fd;hp=6ec06d0a8fff898e0e98c2478adeabcd222d166d;hpb=299e2c41124d3fa8adba7244716515a2cc160ed1;p=unres4.git diff --git a/source/unres/data/control_data.f90 b/source/unres/data/control_data.f90 index 6ec06d0..1e2bbf9 100644 --- a/source/unres/data/control_data.f90 +++ b/source/unres/data/control_data.f90 @@ -2,7 +2,7 @@ !----------------------------------------------------------------------------- ! Max. number of types of dihedral angles & multiplicity of torsional barriers ! and the number of terms in double torsionals - integer,parameter :: maxtor=4,maxterm=10,maxlor=3 + integer,parameter :: maxlor=3,maxterm=10 !maxtor=4 integer,parameter :: maxtermd_1=8,maxtermd_2=8 !----------------------------------------------------------------------------- ! Max. number of groups of interactions that a given SC is involved in @@ -10,11 +10,11 @@ !----------------------------------------------------------------------------- ! Max. number of residue types and parameters in expressions for ! virtual-bond angle bending potentials - integer,parameter :: maxthetyp=3,maxthetyp1=maxthetyp+1 - integer,parameter :: maxtheterm=20 - integer,parameter :: maxtheterm2=6,maxtheterm3=4 - integer,parameter :: maxsingle=6,maxdouble=4 - integer,parameter :: mmaxtheterm=maxtheterm +! integer,parameter :: maxthetyp=3,maxthetyp1=maxthetyp+1 +! integer,parameter :: maxtheterm=20 +! integer,parameter :: maxtheterm2=6,maxtheterm3=4 +! integer,parameter :: maxsingle=6,maxdouble=4 +! integer,parameter :: mmaxtheterm=maxtheterm !----------------------------------------------------------------------------- ! Max number of torsional terms in SCCOR integer,parameter :: maxterm_sccor=7000 @@ -23,7 +23,7 @@ ! integer,parameter :: maxlob=4 in geometry !----------------------------------------------------------------------------- ! Max. number of S-S bridges - integer,parameter :: maxss=20 +! integer,parameter :: maxss=20 !----------------------------------------------------------------------------- !----------------------------------------------------------------------------- ! commom.control @@ -85,7 +85,7 @@ integer,parameter :: MaxMoveType = 4 !----------------------------------------------------------------------------- ! Max. number of processors. - integer,parameter :: maxprocs=2048 +! integer,parameter :: maxprocs=2048 !el integer,parameter :: maxprocs=4200 !----------------------------------------------------------------------------- !-----------------------------------------------------------------------------