[AMBER] regarding ambertools

From: Asfa Ali <asfa.iisc.gmail.com>
Date: Fri, 19 Mar 2010 23:22:40 +0530


I have Amber9 installed in my system. In order to run simulations on pdb
structures (version 3), I have installed the recent AmberTools 1.3, as
advised by the ambergroup. In my .bashrc file, I had already set the
environment for amber9 by:

              export AMBERHOME=/root/amber9
              export PATH=/root/amber9/exe:$PATH

Now in order to work with Ambertools1.3, would I need to again set the
environment by :

              export AMBERHOME=/root/amber11

What else should i write in the bashrc file? Will this ambertools1.3 (which
is downloaded as amber11) interfere with the running of amber9? Actually I
need to use leaprc.ff99bsc0 as the force field which is present in
ambertools1.3 but not in amber9.

Plz help.

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Received on Fri Mar 19 2010 - 11:00:03 PDT
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