[gmx-users] editconf tool

Kieu Thu Nguyen kieuthu2212 at gmail.com
Fri Feb 22 02:11:11 CET 2013


Thank Erik and Dallas so much !
I got it :-)


On Fri, Feb 22, 2013 at 4:53 AM, Dallas Warren <Dallas.Warren at monash.edu>wrote:

> If you have a particle at 1.000 1.000 1.000
>
> If use editconf -translate 0 1 -1
>
> Then that particle will be moved to 1.000 2.000 0.000
>
> Catch ya,
>
> Dr. Dallas Warren
> Drug Discovery Biology
> Monash Institute of Pharmaceutical Sciences, Monash University
> 381 Royal Parade, Parkville VIC 3052
> dallas.warren at monash.edu
> +61 3 9903 9304
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a
> nail.
>
>
> > -----Original Message-----
> > From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> > bounces at gromacs.org] On Behalf Of Kieu Thu Nguyen
> > Sent: Friday, 22 February 2013 1:32 AM
> > To: Discussion list for GROMACS users
> > Subject: [gmx-users] editconf tool
> >
> > Dear all,
> >
> > I am not clear about the option -translate following editconf tool.
> >
> > Whether the coordinates are translated from center of mass (CoM) to the
> > second CoM or from the edge to the second edge ?
> >
> > Thanks so much for any help !
> > Regards,
> >
> > KT
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