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.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Jul 29 2015 - 07:30:04 PDT
