X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FDIMENSIONS;h=fe9f473a76072c465a49404adc87c7d0161cc537;hb=27d0898cd1f4b898e6b044f96d7f28615e23fadb;hp=5151ff79a3cefb3195c3fc8d4c19d3040c185b75;hpb=6c5a3b69cc5ed5888e4ef8f97de899dc83044f32;p=unres.git diff --git a/source/unres/src_MD/DIMENSIONS b/source/unres/src_MD/DIMENSIONS index 5151ff7..fe9f473 100644 --- a/source/unres/src_MD/DIMENSIONS +++ b/source/unres/src_MD/DIMENSIONS @@ -90,7 +90,7 @@ 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=28,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) @@ -137,3 +137,9 @@ C to master; depends on nstex / ntwx ratio C Nose-Hoover chain - chain length and order of Yoshida algorithm integer maxmnh,maxyosh parameter(maxmnh=10,maxyosh=5) +C Maximum number of templates in homology-modeling restraints + integer max_template + parameter(max_template=50) +c Maximum number of clusters of templates containing same fragments + integer maxclust + parameter(maxclust=1000)