Yes, mixing Ambertools 1.3 with Amber10 won't give you any result= s. Since
Ambertools 1.3 and Amber 10 now have their own separate AMBERHOMEs= , here
is my quick fix to switch to Ambertools 1.3/Amber 10 in a terminal w= indow.
In ~/.bashrc (or whatever shell you're usin= g), add at the bottom:
alias amt="export AMBERHO= ME=/your/path/to/amber11 && source
$HOME/.bashrc" (again, = change for the appropriate shell)
#so as not to be= confused with the corporation amd:
alias amm="export AMBERHOME= =/your/path/to/amber10 && source
$HOME/.bashrc" (ditto above)
So now in a new window, typing amt switches your AMBE= RHOME to Ambertools
1.3 so you can use the 1.3 version of leap and such and= not 1.2. Going back
to Amber10 just needs a amm to work.
Note: i= f you decided to not open a new window to try it out, type source
~/.bashrc= in the terminal to reload to make the aliases work.
Also, you should have:
export PATH="$AMBERHOM= E/exe:$PATH"
in there somewhere. This method= isn't extremely robust ie you can't run
anything in Amber 10 while in amt = mode, but you can open a new window and
run amm from there. It works for me= so far. Hope it helps!
Trevor
-----<amber-bounces.ambermd.org> wrote: ----= -
To: AMBER Mail= ing List <amber.ambermd.org>
From: Jason Swails <jason.swails.g= mail.com>
Sent by: <amber-bounces.ambermd.org>
Date: 02/27/2= 010 12:46PM
Subject: Re: [AMBER] Installation error of amber10 after com= pile
Ambertools1.3
Hello,
On Sat, Feb 27, 2010 at 3:37 PM, albert albert
<= albertassonke.googlemail.com> wrote:
> Dear Amber10 users,
> > I intend to install the new ambertools 1.3, but the installation o= f
amber10
> fails on ubuntu 9.10. with gfortran....
It's a lit= tle unclear what you're doing here. AmberTools 1.3
automatically u= npacks into an amber11 directory. This should remain
this way (i.e= . do not unpack AmberTools 1.3 into the amber10
directory). If you= have amber10, you must also have AmberTools 1.2
unpacked in the amber10= directory. AmberTools 1.2 is available for
download on ambermd.or= g.
If all of that is correct, then make sure you have applied all
bugfixes, and it may be helpful to look at
[1]
http://ambermd.org/ubuntu.html .
Good luck!<= br>Jason
--
---------------------------------------
Jason M. Swai= ls
Quantum Theory Project,
University of Florida
Ph.D. Graduate St= udent
352-392-4032
_______________ ________________________
F= _______
AMBER mailing list
AMBER.ambermd.org
[2]
http://lists.ambermd.o= rg/mailman/listinfo/amber
References
1. 3D"
http://ambermd.or=/
2. ="
http://lists.ambermd.org/mailman/listinfo/amber"
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http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Feb 28 2010 - 01:00:02 PST
