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