I ran a simulation, where i increased the potential from +1% to +20%
(with 500000 steps in between) but i don't saw any changes. And now
i'm not sure if lammps acepted the changes. Is there a way to find
out? Or could you say me if i did it right
If you are running pair_style hybrid, then you need the lj/ch/coul/long
in all the pair_coeff commands, otherwise not.
You don't need to set the coeffs in both the data file
and input script. One will just overwrite the other. Of
course you can run a first simulation using what was
in the data file, then change the values in the input
script, and run a 2nd simulation.
you said one will overwrite the other, does the input file overwrite
the data file or vice versa?
and, do i have to run a minimization or something else for changes
taking effect?
its because i don't see any changes by changing this values, and i
wana be sure its not me failing to do the script.
please set up and post a minimal example
for what you are trying to do that demonstrates
what is not working as expected (it doesn't have
to be realistic, just small and the absolute
minimum of commands so it is easy to look over).
Yes i'm using pair stype hybrid
you said one will overwrite the other, does the input file overwrite
the data file or vice versa?
later input will override the former.
any XXX_style command will generate an
instance of a class and the XXX_coeff statements
(including those embedded in a data file) will initialize
and then modify its settings.
defining a new XXX_style will delete the previous
class and all settings with it are lost.
and, do i have to run a minimization or something else for changes
taking effect?
its because i don't see any changes by changing this values, and i
wana be sure its not me failing to do the script.
it is hard to give advice on this without seeing a complete input.
units real
boundary p p p
atom_style full
pair_style hybrid buck 10.0 lj/charmm/coul/long 10.0 12.0
bond_style harmonic
angle_style harmonic
dihedral_style harmonic
special_bonds amber
kspace_style pppm 1.0e-6
neighbor 2.0 bin