On Wed, Jul 29, 2015 at 8:28 AM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Wed, Jul 29, 2015 at 10:25 AM, Albert <mailmd2011.gmail.com> wrote:
>
> > Hello:
> >
> > I've got a .rst and .prmtop file for Amber MD system. I am just
> > wondering is there any tool that we can use for centering the ligand
> > coordinate to [0,0,0] in the waterbox?
> >
>
> The "center" command in cpptraj should do this.
>
Just to clarify, 'center' will move specified atoms to the box center,
'center origin' will move atoms to 0,0,0.
-Dan
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 29 2015 - 08:00:03 PDT
