I understood my mistake, but I don't think we can apply special_bonds with hertz/history model. Is there some other way to turn on the 1-2 interactions?
I understood my mistake, but I don't think we can apply special_bonds with
hertz/history model.
i think differently and i already explained why and how. to reiterate,
special_bonds settings are *always* active and their default is 0.0 for
1-2, 1-3 and 1-4. whether the individual pair style applies the scaling
factors or not is a different issue (they don't), but if you add bonds to a
system, the neighbor list code will remove the bonded pairs from the list
if the special_bonds settings are left to the default settings.
i have just explained this in a different e-mail to the list in the context
of many-body potentials.
rather than making speculative statements, i suggest you provide some
evidence that proves me wrong.
axel.
I didn’t say anything about you being wrong. I mean that I am using hertzian force model. Using special bonds, I can only turn on pairwise interactions between :
amber, dreiding, lj/coul, lj,etc.
Is there a way to turn on the 1-2 force of interactions between hertzian force model?
I didn't say anything about you being wrong. I mean that I am using
hertzian force model. Using special bonds, I can only turn on pairwise
interactions between :amber, dreiding, lj/coul, lj,etc.
Is there a way to turn on the 1-2 force of interactions between hertzian
force model?
again, you are speculating without proof or even studying the
documentation properly.
and again, you are wrong.
i've explained what you need to do already multiple times. i will not do it
again.
axel.
"The LJ factors are applied to the remaining terms that the potential calculates, whether they represent LJ interactions or not".
Okay, I understood. But just to be on the safe side, can you please confirm that if I turn on the special interactions as 1.0 1.0 1.0 then it must solve the issue?
"The LJ factors are applied to the remaining terms that the potential
calculates, whether *they represent LJ interactions or not".*Okay, I understood. But just to be on the safe side, can you please
confirm that if I turn on the special interactions as 1.0 1.0 1.0 then it
must solve the issue?
if you *really* want to be on the safe side, then you don't ask a random
dude, whose statements you have repeatedly questioned, but rather construct
a trivial test system and prove it to yourself without a doubt. that is the
scientific way (and much less irritating to everybody else, too).
axel.