Water

This appears to be the TIP3P water model, originally adopted for liquid
water by Jorgensen in 1983. Did you get the epsilon parameter right
(depending on the units used in LAMMPS)? As Steven already mentioned,
there's *no parameter* in classical force fields for "hydrogen
bonding".

Usually, after the simulation, you apply distance measurements between
neighboring -H and O- atoms and classify them according to this distance
and the angles of the apparent O-H -- O<H2 arrangements. Maybe you find
this source useful: https://pubs.acs.org/doi/abs/10.1021/jp003020w

Regards,

M.

HOW to create hbonds in my project ?

Pair Coeffs

1 0.046 0.4000135
2 0.1521 3.150574

Atoms

1 1 2 -0.834 2.75 8.844 9.629
2 1 1 0.417 2.11 8.29 9.998

This appears to be the TIP3P water model, originally adopted for liquid
water by Jorgensen in 1983. Did you get the epsilon parameter right
(depending on the units used in LAMMPS)? As Steven already mentioned,
there’s no parameter in classical force fields for “hydrogen
bonding”.

Usually, after the simulation, you apply distance measurements between
neighboring -H and O- atoms and classify them according to this distance
and the angles of the apparent O-H – O<H2 arrangements. Maybe you find
this source useful: https://pubs.acs.org/doi/abs/10.1021/jp003020w

Regards,

M.

To paraphrase Wahib and Stephan:
The alternating positive and negative partial charges (in column 4 of the “Atoms” section of the data file) should cause atoms in different t water molecules to be attracted to each other. If you chose your force field parameters correctly (using TIP3P, SPC, or SPC/E) this should be is enough to simulate hydrogen-bond-like behavior in water. It would be a terrible idea to add explicit bonds between atoms in different water molecules to your DATA file. (Is that what you were suggesting?)

Wahib is suggesting that you could analyze the dump file generated by your simulation to identify pairs of atoms which are nearby and at the correct angle so that you can consider them “hydrogen-bonded”, if (for some reason) you need to do this kind of analysis.

I don’t know if my reply helped at all.
Cheers

Andrew