turning off angles and dihedrals

Hi all,

I'm running a simulation with pairwise, bonded, angle and dihedral interactions. ``I need to use the fix bond/break command to remove bonds in the system, ``but I have learned that this command does not affect the angle interactions.

1-I was wondering if there is a method using which I can ``turn off the angle and dihedral interactions between atoms that include the broken ``bond, but only when the bond breaks.

2-Regardless of the fix bond/break command is there any way to turn off the angle and dihedrals in a specific region or for specific group of atoms?

Thank you in advance,

Shahin Shadlou

Comments below.

Steve

Hi all,

I'm running a simulation with pairwise, bonded, angle and dihedral
interactions. I need to use the fix bond/break command to remove bonds in
the system, but I have learned that this command does not affect the angle
interactions.

1-I was wondering if there is a method using which I can turn off the angle
and dihedral interactions between atoms that include the broken bond, but
only when the bond breaks.

no - that logic would have to be added to the fix bond/break command.

2-Regardless of the fix bond/break command is there any way to turn off the
angle and dihedrals in a specific region or for specific group of atoms?

The delete_bonds command can do this.