X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=b78fe94ecdb4a5d671deeda58aa9fde4ab5174aa;hb=9d8588f32fbe4f5f14eb08b566080f9b74d3696c;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..b78fe94 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) @@ -141,4 +141,10 @@ C to master; depends on nstex / ntwx ratio parameter (max_cache_traj=200) C Maximum number of templates in homology-modeling restraints integer max_template - parameter(max_template=25) + parameter(max_template=50) +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)