From 95cc80884174e2d4316e46f0fb50a061a1e20f76 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Tue, 16 Jun 2020 15:10:49 +0200 Subject: [PATCH] maxdim_cont=maxres*1000 --- source/cluster/wham/src-HCD-5D/DIMENSIONS | 2 +- source/unres/src-HCD-5D/DIMENSIONS | 4 ++-- source/wham/src-HCD-5D/DIMENSIONS | 4 ++-- 3 files changed, 5 insertions(+), 5 deletions(-) diff --git a/source/cluster/wham/src-HCD-5D/DIMENSIONS b/source/cluster/wham/src-HCD-5D/DIMENSIONS index 247819a..64c63b1 100644 --- a/source/cluster/wham/src-HCD-5D/DIMENSIONS +++ b/source/cluster/wham/src-HCD-5D/DIMENSIONS @@ -46,7 +46,7 @@ C include in template-based/contact distance restraints. parameter (maxcont_res=200) C Max. number of distance/contact-distance restraints integer maxdim_cont - parameter (maxdim_cont=maxres*maxcont_res) + parameter (maxdim_cont=maxres*1000) C Number of AA types (at present only natural AA's will be handled integer ntyp,ntyp1 parameter (ntyp=24,ntyp1=ntyp+1) diff --git a/source/unres/src-HCD-5D/DIMENSIONS b/source/unres/src-HCD-5D/DIMENSIONS index ed21dfe..1c2ee16 100644 --- a/source/unres/src-HCD-5D/DIMENSIONS +++ b/source/unres/src-HCD-5D/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=10000) + parameter (maxres=5000) C Max. number of AA residues per chain integer maxres_chain parameter (maxres_chain=1200) @@ -60,7 +60,7 @@ C include in template-based/contact distance restraints. parameter (maxcont_res=200) C Max. number of distance/contact-distance restraints integer maxdim_cont - parameter (maxdim_cont=maxres*maxcont_res) + parameter (maxdim_cont=maxres*1000) C Number of AA types (at present only natural AA's will be handled integer ntyp,ntyp1 parameter (ntyp=24,ntyp1=ntyp+1) diff --git a/source/wham/src-HCD-5D/DIMENSIONS b/source/wham/src-HCD-5D/DIMENSIONS index c360026..b79ae1f 100644 --- a/source/wham/src-HCD-5D/DIMENSIONS +++ b/source/wham/src-HCD-5D/DIMENSIONS @@ -15,7 +15,7 @@ C Max. number of AA residues integer maxres c parameter (maxres=250) c parameter (maxres=1200) - parameter (maxres=10000) + parameter (maxres=5000) C Max. number of cysteines and other bridging residues integer max_cyst parameter (max_cyst=100) @@ -54,7 +54,7 @@ C include in template-based/contact distance restraints. parameter (maxcont_res=200) C Max. number of distance/contact-distance restraints integer maxdim_cont - parameter (maxdim_cont=maxres*maxcont_res) + parameter (maxdim_cont=maxres*1000) C Number of AA types (at present only natural AA's will be handled integer ntyp,ntyp1 parameter (ntyp=24,ntyp1=ntyp+1) -- 1.7.9.5