[gmx-users] How to let some atoms not move in some direction?

[Erik Lindahl]

zpxu wrote:
> write them into posre.itp and define POSRE,
> 
> or creat a frozen group?
> 

Use a freeze group; you should find it covered in the manual, the mdp 
options webpage, and probably in the mailing list archive too (use the 
search facility).

Cheers,

Erik