Re: [AMBER] Problem reading a psf file in cpptraj

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 29 Mar 2013 14:44:17 -0600

Hi,

On Fri, Mar 29, 2013 at 2:35 PM, Ganesh Kamath <gkamath9173.gmail.com> wrote:
> Hi Daniel,
>
> I compiled the AMBERTOOLS download after filling the form and compile
> cpptraj. It still tells me version 12.1.
> Where can I get version 12.5

Once you download AmberTools, unpack it, set AMBERHOME, and run
configure you should see something like:

----------
$ ./configure -norism -nofftw3 -nomtkpp gnu
Checking for updates...
AmberTools12 has 2 unapplied patches: 34, 35
Amber12 has 1 unapplied patches: 15

There are patches available. Do you want to apply them now? [y/n]
(Recommended Y)
y
Determining patches to download for AmberTools12
  Downloading bugfix.34
  Downloading bugfix.35

Determining patches to download for Amber12
  Downloading bugfix.15

Applying AmberTools12 patches
  Moving bugfix.34 to AmberTools_Applied_Patches
  Moving bugfix.35 to AmberTools_Applied_Patches
Applying Amber12 patches
  Moving bugfix.15 to Amber_Applied_Patches
...
The configuration file, config.h, was successfully created.

The next step is to type 'make install'

Cleaning the src directories. This may take a few moments.
----------

Once configure has finished patching, you need to recompile with 'make
install' in order to complete the update process.

-Dan

--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Fri Mar 29 2013 - 14:00:03 PDT
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