[gmx-users] position restraint on a plane

Myunggi Yi myunggi at gmail.com
Wed Jan 16 22:05:17 CET 2008

Thank you.

I've already read the part, but I was wondering how can I supply my
reference z positon in the .itp file.

I can prepare the "restraint.gro" file manually by placing the atoms at z=
1.0 nm.
Then I think I can supply with -r option.

Have a great day.

On Jan 16, 2008 3:44 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

> Myunggi Yi wrote:
> > Thank you.
> >
> > I'm a beginner.
> > How can I setup the restrain?
> > Where should I get the information.
> > The manual is not enough for me.
> There's even an example of planar restraints in chapter 5.
> > The position restraint .itp file dosen't seem to offer for the reference
> > (z= 1.0) option.
> > Whould give me more detail?
> You're not constraining to a plane, you're restraining the coordinates
> to be near the plane it starts on (but for advanced usage read about
> grompp -r). For now, see the links on the URL that Anirban provided.
> Mark
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Best wishes,

KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306

Office: (850) 645-1334
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