From 5a41583eef6863602c5bfee12edf437548213b36 Mon Sep 17 00:00:00 2001 From: Pawel Krupa Date: Sun, 15 May 2016 14:37:37 -0400 Subject: [PATCH] Extended maximum residue number and number of temperatures. --- source/unres/src_MD-M/DIMENSIONS | 2 +- source/wham/src-M/DIMENSIONS | 2 +- source/wham/src-M/DIMENSIONS.FREE | 4 ++-- source/wham/src-M/DIMENSIONS.ZSCOPT | 2 +- 4 files changed, 5 insertions(+), 5 deletions(-) diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS index 2b93b81..1e3f361 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=1200) + parameter (maxres=1300) C Appr. max. number of interaction sites integer maxres2,maxres6,mmaxres2 parameter (maxres2=2*maxres,maxres6=6*maxres) diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS index 00fa77f..67afa13 100644 --- a/source/wham/src-M/DIMENSIONS +++ b/source/wham/src-M/DIMENSIONS @@ -14,7 +14,7 @@ c parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres c parameter (maxres=250) - parameter (maxres=100) + parameter (maxres=1150) C Appr. max. number of interaction sites integer maxres2 parameter (maxres2=2*maxres) diff --git a/source/wham/src-M/DIMENSIONS.FREE b/source/wham/src-M/DIMENSIONS.FREE index 691d9b2..2684687 100644 --- a/source/wham/src-M/DIMENSIONS.FREE +++ b/source/wham/src-M/DIMENSIONS.FREE @@ -4,8 +4,8 @@ integer MaxSlice parameter (Max_Parm=1) parameter (MaxQ=1,MaxQ1=MaxQ+2) - parameter(MaxR=1,MaxT_h=32) - parameter(MaxSlice=40) + parameter(MaxR=1,MaxT_h=36) + parameter(MaxSlice=20) integer MaxN parameter (MaxN=100) integer MaxPrintConf diff --git a/source/wham/src-M/DIMENSIONS.ZSCOPT b/source/wham/src-M/DIMENSIONS.ZSCOPT index 2f5ee76..cfc74a4 100644 --- a/source/wham/src-M/DIMENSIONS.ZSCOPT +++ b/source/wham/src-M/DIMENSIONS.ZSCOPT @@ -25,7 +25,7 @@ c Maximum number of grid points in energy map evaluation parameter (max_x=200,max_y=200,max_minim=1000) c Maximum number of processors integer MaxProcs - parameter (MaxProcs = 2048) + parameter (MaxProcs = 128) c Maximum number of optimizable parameters integer max_paropt parameter (max_paropt=500) -- 1.7.9.5