From 73752461c70cf3fa6d8f6affce46e918ed547a75 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Mon, 25 Sep 2017 23:39:47 +0200 Subject: [PATCH] dimensions --- source/cluster/wham/src-M/DIMENSIONS | 2 +- source/unres/src_MD-M/DIMENSIONS | 4 ++-- source/wham/src-M/DIMENSIONS | 2 +- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/source/cluster/wham/src-M/DIMENSIONS b/source/cluster/wham/src-M/DIMENSIONS index ec6a171..1fef045 100644 --- a/source/cluster/wham/src-M/DIMENSIONS +++ b/source/cluster/wham/src-M/DIMENSIONS @@ -49,7 +49,7 @@ C Max. number of lobes in SC distribution parameter (maxlob=4) C Max. number of S-S bridges integer maxss - parameter (maxss=20) + parameter (maxss=60) C Max. number of dihedral angle constraints integer maxdih_constr parameter (maxdih_constr=maxres) diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index 25dc20b..635b007 100644 --- a/source/unres/src_MD-M/DIMENSIONS +++ b/source/unres/src_MD-M/DIMENSIONS @@ -65,7 +65,7 @@ C Max. number of lobes in SC distribution parameter (maxlob=4) C Max. number of S-S bridges integer maxss - parameter (maxss=20) + parameter (maxss=60) C Max. number of dihedral angle constraints integer maxdih_constr parameter (maxdih_constr=maxres) @@ -138,7 +138,7 @@ C Maximum number of terms in SC bond-stretching potential 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) + parameter (max_cache_traj=200) C Maximum number of templates in homology-modeling restraints integer max_template parameter(max_template=25) diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS index 99a0454..d2d54bc 100644 --- a/source/wham/src-M/DIMENSIONS +++ b/source/wham/src-M/DIMENSIONS @@ -61,7 +61,7 @@ C Max. number of lobes in SC distribution parameter (maxlob=4) C Max. number of S-S bridges integer maxss - parameter (maxss=20) + parameter (maxss=60) C Max. number of dihedral angle constraints integer maxdih_constr parameter (maxdih_constr=maxres) -- 1.7.9.5