On Wed, Jun 20, 2018, DHEERAJ CHITARA wrote:
>
> I am using Amber 12 and AmberTools 13 (CPPTRAJ V13.24) to analysis
> trajectories of MD Simulation. How to install esander (sander API) / energy
> tool in AMBER 12 ?
> Do I need to install a newer version of AMBER Tools in order to use esander
> and energy commands.
You should definitely install AmberTools18, which contains the sander
API. Set your AMBERHOME variable to point to the amber18 directory that
contains AmberTools18, and put $AMBERHOME/bin in your PATH. If you need
to use pmemd from Amber12, use its complete path when you call it. (Or,
consider upgrading to Amber18, which has six years worth of
improvements.)
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 20 2018 - 04:00:03 PDT
