[gmx-users] Re: gmx-users Digest, Vol 41, Issue 10: How to run ED with position restrain along first principle, component (Anirban Ghosh)

[Gerrit Groenhof]

>    4. How to run ED with position restrain along first	principle
>       component (Anirban Ghosh)
>   

You can either keep it fixed with the -linfix option of mk_edi. The 
other option is to use the flooding  code, with a harmonic restraint on 
the eigenvector. Check the paper
Flooding in gromacs by Lange, Schaefer and Grubmueller JCC (2006).

Gerrit