On Thu, Nov 8, 2012 at 3:05 PM, Maxier Acosta Santiago <
maxier.acosta.upr.edu> wrote:
> Greetings:
> Just a quick question, is AmberTools12 compatible with Amber10? If
> not, does AmberTools version 1.2 includes Antechamber and its
> subprograms/tools?
>
Depends what you mean by "compatible". The only incompatibilities with
Amber 10 and AmberTools 12 are the following:
- The PBSA and SQM libraries from AmberTools 12 are incompatible with
sander 10. So you still need AmberTools 1.2 to get sander compiled
correctly
- Mixed 1-4 scaling is only available in Amber 11 and later. This is only
really an issue when you run with a mixed GLYCAM/Amber force field combo
(primarily of interest with carbohydrate simulations).
An informative page regarding these kinds of mixtures is provided here:
http://jswails.wikidot.com/installing-ambertools-12-and-older-amber
Good luck,
Jason
As an aside, Amber 10 is quite old at this point (software ages faster than
cars and dogs), and you'll be encouraged to upgrade if you have any
problems with running/compiling it.
--
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
Received on Thu Nov 08 2012 - 13:00:02 PST
