On Wed, 2015-09-16 at 11:10 +0500, ayesha kanwal wrote:
> hi
> i have download and installed amber14 and amberTool14 as well. i want
> to ask you can i work on ambertool14 without using amber itself ?
Amber 14 is only available through a paid license. If you (or someone
in your group) did not purchase a license and receive a download, you do
not have Amber 14.
You can use AmberTools 14 by itself.
> because whenever i installed amber14, it gave an error:
>
> make[1]: Leaving directory `/home/ayesha/Desktop/amber14/AmberTools/src'
> ==============================================================
> /home/ayesha/Desktop/amber14/src/Makefile not found, or -noamber was set.
> This is expected if you do not have Amber14.
> ==============================================================
This is not an error. As the message says, this is expected if you do
not have Amber 14 (the only way you would have Amber 14 is if you
extracted Amber14.tar.bz2 in addition to AmberTools15.tar.bz2).
> I followed all the steps given in amber14 manual while installing amber14, i set the path:
> export AMBERHOME=/home/ayesha/Desktop/amber14
> export PATH="$AMBERHOME/bin:$PATH"
> export LD_LIBRARY_PATH=$AMBERHOME/lib\:$LD_LIBRARY_PATH
> then configure it
> ./configure gnu
> make install
> but it gave the above mention error.
> although the "Makefile" is present in src folder i donot know why it show this error.
> I am using Ubuntu (version 14.04) and i want to work on MMPBSA.py
> however it gave error when i import it in python (version 2.7)
> >>> import MMPBSA.py
>
> Traceback (most recent call last):
> File "<pyshell#0>", line 1, in <module>
> import MMPBSA.py
> ImportError: No module named MMPBSA.py
MMPBSA.py is a script, not a module -- it's meant to be run, not
imported. Consult the tutorial
(
http://ambermd.org/tutorials/advanced/tutorial3/) for more information.
Also, if you have not already, I would suggest upgrading to AmberTools
15. You can do this by running the command:
./update_amber --upgrade
Then run "make clean uninstall" and reconfigure and recompile.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Sep 16 2015 - 05:30:05 PDT
