Re: [AMBER] status of the Amber lipid framework?

From: Jio M <>
Date: Fri, 31 Jan 2014 06:43:39 -0800 (PST)

Hi Jason

Thanks, I can run this on my machine and I installed it recently:
$AMBERHOME/update_amber --version

But this update_amber does not exist (in $AMBERHOME) in installed AMBER version (some central facility). Is there some other way? I can see though it was installed somewhat in June 2012! and I think update_amber is new? Also not sure which bug fixes they have applied.


On Friday, January 31, 2014 2:27 PM, Jason Swails <> wrote:
On Fri, 2014-01-31 at 06:00 -0800, Jio M wrote:
> Dear Ross,
> Glad (:
> lipid 14 is available. I saw in paper it specifically says bugfix 21 needs to be applied for GPU. Can I check somehow whether it has been applied on our central cluster GPU facility?

You can use the command

$AMBERHOME/update_amber --version

to get a full version string for 'amber'.  It should look something like

swails.batman ~ $ $AMBERHOME/update_amber --version
Version is reported as <version>.<patches applied>

    AmberTools version 13.22
        Amber version 12.21

This tells you that AmberTools 13 is installed and up to update 22 is
applied.  Amber 12 is also installed and up to bugfix.21.

However, it's possible to apply updates and still not be using the most
up-to-date version of the programs if the programs were not recompiled.
In the pmemd.cuda output you should see something like

|                    Version 12.3

to show you it's the most up-to-date version.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Fri Jan 31 2014 - 07:00:02 PST
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