[gmx-users] g_order in a micelle

Jonathan Khao jkhao at ibsm.cnrs-mrs.fr
Wed Nov 14 15:38:08 CET 2007


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 ? 


Jonathan KHAO
31 Chemin Joseph Aiguier
13402 Marseille Cedex 20
jkhao at ibsm.cnrs-mrs.fr
tel : 0616738391

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