Hello
How can I simulate two different molecules with two different special_ bonds?
For example:
In molecule A:
Special_ bonds lj / coul 0.1 0.2 0.5
And in molecule B:
Special_ bonds lj/coul 0.3 0.4 0.6
Thanks
Hello
How can I simulate two different molecules with two different special_ bonds?
For example:
In molecule A:
Special_ bonds lj / coul 0.1 0.2 0.5
And in molecule B:
Special_ bonds lj/coul 0.3 0.4 0.6
Thanks
Hello
How can I simulate two different molecules with two different special_
bonds?
you cannot. not as such. who would want to do
such a crazy thing in the first place?
why not just modify the bonded potentials?
the whole point of exclusions is that you can
separate bonded potentials from non-bonded
to make them easier to parameterize. you just
make your life needlessly complicated.
axel.