Dear all,
In my MD simulation, I want to add an external force to change the structure of my system. But it seems that in forcite of MS 8.0, the bonds of systems are unbreakable, so I need to add a bond breaking algorithm, in any steps of my simulation, if bond length larger than threshold value, this bond will be deleted and contiune simulation. How to do it by scripting?
Thanks.
Best regards,
Yours
CHENG Xu
In my MD simulation, I want to add an external force to change the structure of my system. But it seems that in forcite of MS 8.0, the bonds of systems are unbreakable, so I need to add a bond breaking algorithm, in any steps of my simulation, if bond length larger than threshold value, this bond will be deleted and contiune simulation. How to do it by scripting?
Thanks.
Best regards,
Yours
CHENG Xu
