[gmx-users] position restraint on a plane
myunggi at gmail.com
Wed Jan 16 22:05:17 CET 2008
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=
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.
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