Hi everyone,
Some fixes command have such information: the force due to this fix
are imposed during an energy minimization, invoked by the minimize
command.
I do not understand the meaning of 'invoked or not invoked during
energy minimization'. So can anyone give me a complete explanation?
What is the relationship between such fix and energy minimization?
Thanks.
Han
Hi everyone,
Some fixes command have such information: the force due to this fix
are imposed during an energy minimization, invoked by the minimize
command.
I do not understand the meaning of 'invoked or not invoked during
energy minimization'. So can anyone give me a complete explanation?
What is the relationship between such fix and energy minimization?
it means that the "not invoked" fixes don't work (=have no effect)
when doing an energy minimization, they only work during MD.
cheers,
axel.
p.s.: invoked == called (in case that is the problem)
Thanks Axel,
The "invoked" fixes work when doing an energy minimization. Do
''invoked'' fixes also work during MD then?
Thanks
Han
Thanks Axel,
The "invoked" fixes work when doing an energy minimization. Do
''invoked'' fixes also work during MD then?
yes. why should they not?
a.