Re: [AMBER] AmberTools13

From: Concha, Monica <Monica.Concha.ARS.USDA.GOV>
Date: Fri, 25 Oct 2013 21:37:43 +0000

Thanks so much Daniel Roe!
have a nice weekend!

Monica C. Concha
Physical Science Technician
Cotton Structure and Quality Research
Southern Regional Research Center
1100 Robert E. Lee Blvd.
New Orleans, LA 70124
phone: 504-286-4252

-----Original Message-----
From: Daniel Roe []
Sent: Friday, October 25, 2013 4:05 PM
To: AMBER Mailing List
Subject: Re: [AMBER] AmberTools13


On Fri, Oct 25, 2013 at 2:42 PM, Concha, Monica <> wrote:
> my amber10 is in: /share/apps/amber10
> and the ambertools13 is in: /home/mconcha/amber12
> Warning: AMBERHOME [/share/apps/amber10] differs from expected [/home/mconcha/amber12].
> No changes will be made until this is fixed

AMBERHOME needs to point to where AmberTools 13 is; in your case this is '/home/mconcha/amber12'. So prior to running configure you need to set AMBERHOME, e.g. (in bash):

export AMBERHOME=/home/mconcha/amber12

For c-shell this is:

setenv AMBERHOME /home/mconcha/amber12

See the AmberTools 13 manual section 1.3 "Combining AmberTools13 with
Amber11 or Amber10" for more details. Jason Swails' instructions will also help (

Hope this helps,


Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Fri Oct 25 2013 - 15:00:02 PDT
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