[gmx-users] g_order in a micelle

[Jonathan Khao]

Problem solved, thanks !

> Jonathan Khao wrote:
> > Hello, 
> > 
> > I'm trying to get the order parameter of lipids in a micelle, so i've
> > decided to make a script that makes a trjconv of individual lipids, with
> > a fit to a structure that is aligned along the Z axis.
> > 
> > Now that I have the trajectories, i'm trying to launch g_order. The
> > problem is that it requiers a tpr file that I don't have. I have tried
> > to generate one using a modified mdp, top, and gro file , but i get a
> > semgentation error. 
> > 
> > Is it possible to get a Tpr from a Trr ?
> > Or even better , is it possible to make a g_order with a defined vector
> > instead of the three axis ? 
> > 
> > Thanks.
> > 
> >  
> you can use tpbconv with an index file to make a tpr for one lipid from 
> your original tpr file.
> 
-- 
Jonathan KHAO
LISM-IBSM-CNRS
31 Chemin Joseph Aiguier
13402 Marseille Cedex 20
France
jkhao at ibsm.cnrs-mrs.fr
tel : 0616738391