From a18dddf359359ae113283afa0c92a06bcb430a7b Mon Sep 17 00:00:00 2001 From: Pawel Krupa Date: Sun, 15 May 2016 16:00:46 -0400 Subject: [PATCH] Cluster-M structure and maximum residue changes. --- source/cluster/wham/src-M/DIMENSIONS | 4 ++-- source/cluster/wham/src-M/sizesclu.dat | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/source/cluster/wham/src-M/DIMENSIONS b/source/cluster/wham/src-M/DIMENSIONS index 1bcdf79..ae11439 100644 --- a/source/cluster/wham/src-M/DIMENSIONS +++ b/source/cluster/wham/src-M/DIMENSIONS @@ -6,10 +6,10 @@ ******************************************************************************** C Max. number of processors. integer maxprocs - parameter (maxprocs=16) + parameter (maxprocs=24) C Max. number of AA residues integer maxres,maxres2 - parameter (maxres=650) + parameter (maxres=1150) C Appr. max. number of interaction sites parameter (maxres2=2*maxres) C Max. number of variables diff --git a/source/cluster/wham/src-M/sizesclu.dat b/source/cluster/wham/src-M/sizesclu.dat index 1810f0c..30ac675 100644 --- a/source/cluster/wham/src-M/sizesclu.dat +++ b/source/cluster/wham/src-M/sizesclu.dat @@ -5,8 +5,8 @@ * Max. number of conformations in the data set. * integer maxconf,maxstr_proc - PARAMETER (MAXCONF=13000) - parameter (maxstr_proc=maxconf/2) + PARAMETER (MAXCONF=7500) + parameter (maxstr_proc=maxconf/4) * * Max. number of "distances" between conformations. * -- 1.7.9.5