[gmx-users] restrict two atoms in a group using freezegrps

He, Yang yang.he at mavs.uta.edu
Sat Apr 18 20:13:28 CEST 2009

HI all users,

I have tried  a simple case with two atoms using [position_restraints] but always it shows the same error :

Segmentation fault (core dumped)

But after I don't use the position_restraints for one atom and then I can run the case smoothly. It seems that the gromacs doesn't recognize this [position_restraints];

Then, I tried the freezegrps but it seems to restrict a whole group. Here, I wonder whether I can just use this method to restrict several atoms in a whole group and how to do that.

Thank you for your any suggestions.


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