[gmx-users] position restraint on a plane

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 16 21:44:03 CET 2008


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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