X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=25dc20ba3d2cd13b0137ac4ef976b6b49da47899;hb=e37f70b1095e1599ae2765a45a8955e7b43ac267;hp=da975d3a85194308bb7e147177c9432ae954b04a;hpb=c7a96454a5265471d175bbe066071ac41c8b55c3;p=unres.git diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index da975d3..25dc20b 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/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=600) + parameter (maxres=1000) C Appr. max. number of interaction sites integer maxres2,maxres6,mmaxres2 parameter (maxres2=2*maxres,maxres6=6*maxres) @@ -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) @@ -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=23,n_ene2=2*n_ene) + parameter (n_ene=24,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) @@ -139,3 +139,6 @@ C Maximum number of conformation stored in cache on each CPU before sending C to master; depends on nstex / ntwx ratio integer max_cache_traj parameter (max_cache_traj=10) +C Maximum number of templates in homology-modeling restraints + integer max_template + parameter(max_template=25)