X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=5098f708f0d5ecbcfc0846c15b88dd3125f33035;hb=82175e15828d8aa5385d50d1a140bc736afc90c3;hp=635b0072bca12de0d6b0dcaaaa50c9910f05c45c;hpb=73752461c70cf3fa6d8f6affce46e918ed547a75;p=unres.git diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index 635b007..5098f70 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/DIMENSIONS @@ -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=24,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) @@ -142,3 +142,9 @@ C to master; depends on nstex / ntwx ratio C Maximum number of templates in homology-modeling restraints integer max_template parameter(max_template=25) +C Maximum number of bins in SAXS restraints + integer MaxSAXS + parameter (MaxSAXS=1000) +c Maximum number of clusters of templates containing same fragments + integer maxclust + parameter(maxclust=1000)