Thanks for the email.
I think I should upgrade to Amber11. My OS is old and installing compilers like the one suggested by Dave, i.e. gcc44 using rpm version, asks for lots of dependencies. Using current status of my system I was able to install Amber9, but was wondering if it will let me to do the same for Amber11.
Cheers, Siavoush
________________________________
From: Jason Swails [mailto:jason.swails.gmail.com]
Sent: Thu 6/2/2011 8:57 PM
To: AMBER Mailing List
Subject: Re: [AMBER] AmberTools 1.5 installation problem
Per-residue decomposition with MMPBSA.py requires an Amber11 sander or
later. A good deal of the MMPBSA.py functionality in AmberTools 1.5 is
accessible *only* with AmberTools, but a couple things require Amber11.
Namely, you need Amber for per-residue and pairwise-residue decomposition
analysis as well as QM/MMGBSA analyses.
Hope this helps,
Jason
On Thu, Jun 2, 2011 at 11:42 AM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Thu, Jun 02, 2011, Siavoush Dastmalchi wrote:
> >
> > But was wondering if there was any issue with not installing Amber11.
>
> AmberTools should work fine with or without Amber11. Just depends on what
> functionality you want.
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 02 2011 - 10:00:03 PDT
