[AMBER-Developers] AMBER 11 bugfixes?

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 15 Jun 2011 08:24:33 -0700

Hi All (although mostly Dave)

Does anyone know why the amber11 bugfixes page has regressed to July 2010?


bugfix.all: This patch script contains all of the bug fixes detailed below
in a single patch script. You can patch your Amber11 distribution to include
all of the current bug fixes by downloading this file and saving it in your
$AMBERHOME directory.
patch -p0 -N < bugfix.all

This should patch your source files with the latest bugfixes. Any bugfixes
that appear to have already been applied will be skipped. Once the patching
is finished you need to recompile your copy of Amber11.

bugfix.1: Fix possible imaging issues for QMMM calculations using very small

bugfix.2: Fix problems when water molecules were included as part of a
softcore region.

bugfix.3: Do not allow es_cutoff /= vdw_cutoff in pmemd.CUDA.

bugfix.4: Fix possible segfault when running with iwrap=1 in pmemd.CUDA.

bugfix.5: Update bugfix.4 to also support ntb=2.


The git tree version is up to date:

commit 1e3361f0e49405d058a0c2356fc76a162efdf945
Author: Joe Q. Developer <thomas.steinbrecher.kit.edu>
Date: Thu May 26 14:45:37 2011 +0200

    TBS: Added bug fixes 14 and 15 for Amber11 and updated bugfix.all.
    Thanks to InSuk Joung for spotting two problems with soft core TI.

So something is up with the webserver I think.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |

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Received on Wed Jun 15 2011 - 08:30:04 PDT
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