On Wed, May 02, 2018, Tousif Hossen wrote:
>
> Currently I am using Amber12 with Ambertools12. now I just want to
> update my Ambertools12 to Ambertools15. so, is Amber12 compatible
> with Ambertools15? can I update my Ambertools?
You should install AmberTools18, which will download into a folder named
"amber18". Point your AMBERHOME variable to that directory, and add
$AMBERHOME/bin to your PATH.
When you wish to run pmemd (which is the only program in Amber12 that is
not contained in AmberTools18), simple give the full path to that
executable (e.g. /somewhere/amber12/bin/pmemd) when you run it.
(pmemd does not make use of the AMBERHOME environment variable)
Amber12 is now six years old, which is old in dog-years. You should
consider upgrading to Amber18 if you plan to run long or expensive
simulations. Fee waivers may be available; please visit
ambermd.org/GetAmber.php#amber for more information.
....dac
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Received on Wed May 02 2018 - 05:30:03 PDT
