X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FDIMENSIONS;h=b14b323a5f8efe23f42aa216c75c8710579bc16e;hb=bde71ffff7527add147c1bee4bad23f02b4d1ab7;hp=90fdb7dc14e91dc56f6028613bcc2d5d416cd715;hpb=3054e5f25dc4adf1fbe8476f0fb3677ccaa81129;p=unres.git diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index 90fdb7d..b14b323 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=800) C Appr. max. number of interaction sites integer maxres2,maxres6,mmaxres2 parameter (maxres2=2*maxres,maxres6=6*maxres) @@ -140,3 +140,6 @@ 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 NOSE-HOOVER + integer maxmnh,maxyosh + parameter(maxmnh=10,maxyosh=5)