X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FDIMENSIONS;h=6546327359593d90e866512ab8689e4ddb0eddbb;hb=bda982c0a4335703f4b46cdfa25a7021ceb6dbdf;hp=5151ff79a3cefb3195c3fc8d4c19d3040c185b75;hpb=ba3b4257f01c3857bbae7927ed7815ab7f5419d6;p=unres.git diff --git a/source/unres/src_MD/DIMENSIONS b/source/unres/src_MD/DIMENSIONS index 5151ff7..6546327 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 +137,6 @@ 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=19)