One caveat -- you have to use mm_pbsa.pl from Amber 10 to do decomposition
analysis using an MM/PBSA method. MMPBSA.py from AmberTools 12 does not
work with sander from Amber 10 due to a sander bug with decomposition and
imin=5.
All the best,
Jason
On Sat, Jul 14, 2012 at 11:17 AM, vaibhav dixit <vaibhavadixit.gmail.com>wrote:
> Dear Prof. D. Case,
> Thank you for this confirmation.
>
> On Sat, Jul 14, 2012 at 6:01 PM, David Case <dacase.rci.rutgers.edu>
> wrote:
>
> >
> >
> > On Jul 14, 2012, at 1:32 AM, vaibhav dixit <vaibhavadixit.gmail.com>
> > wrote:
> >
> > > I'm using Amber 10 for MD simulations and want to perform free energy
> > > estimation and residue-wise energy decomposition analysis.
> > > In this regard I have a query that, Is AmberTools12 compatible with
> Amber
> > > 10 for such analysis?
> >
> > Yes....dac
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> With regards
>
> Vaibhav A. Dixit
> Ph.D. Scholar
> Department of Medicinal Chemistry
> Natl. Inst. Pharm. Edu. & Res. (NIPER)
> Sector 67, Phase X, S.A.S. Nagar (Mohali)
> Punjab -160 062 INDIA
> Phone (Mobile): +919915214408
> E-mail: vaibhavadixit.gmail.com
> www.niper.nic.in
> _______________________________________________
> 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
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Received on Sat Jul 14 2012 - 15:30:03 PDT
