[gmx-users] Freezing group doubt!

[Rahul Karyappa]

Dear all,

   I have two models surrounded by water and ions, which I
have to simulate. Out of the two models, I am freezing(fixing the
position) one model in all directions. In its itp file I have included
only the atomtypes not the bonds, angles and dihedrals. But when I run
the MD simulation it gives me error as segmentation fault. The
nonbonded interactions which I am using are arbitrary. Can you please
tell me is it sorrect or do I need to include all other parameters in
the .itp file of the freezed model?

Thanking you in advance.


Rahul Karyappa




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