Hi, Jason:
Thanks.
Before I try to install AmberTools in my machine, I want to make sure
something first. ( I used AMBER9 before)
1: Does the tleap in AMBER9 = leap in AmberTools?
2: no sander in AmberTools src directory?
3: the mm_pbsa in AMBER9 = pbsa in AmberTools?
backy
On Thu, Dec 9, 2010 at 5:45 PM, Jason Swails <jason.swails.gmail.com> wrote:
> I believe PBSA might. Take a look at how mm_pbsa.pl creates the
> decomposition input files, and that should give you a good idea. This will
> only decompose the PBSA terms (namely PB and SA, and I'm not sure if SA is
> decomposable in pbsa) to my knowledge.
>
> Decomposition is not set up through nab/GB.
>
> Hope this helps,
> Jason
>
> On Thu, Dec 9, 2010 at 8:23 PM, Yao-Chi Chen <backy2010.chen.gmail.com
> >wrote:
>
> > Hi, All:
> > Does AmberTools also serve the energy decomposition into residue-related
> > contribution for a given protein structure? ( by using mm_pbsa.pl )
> > Thanks.
> >
> >
> > backy
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Dec 09 2010 - 23:00:02 PST
