Dear Sir,

I like to know what would be the bond and angle coefficient values of TIP4P water model. In Lammps manual bond length and angle values are given but K values are not provided. Some of the example input file shows the K values to be zero. Is it Ok?

Because from the expression of harmonic bond/angle style, it appears that K =0 means, force due to bond and angle parameters becomes zero.

I will be grateful if can clarify this thing.

Thanks in advance

Dear Sir,

I like to know what would be the bond and angle coefficient

values of TIP4P water model. In Lammps manual bond length and angle values

are given but K values are not provided. Some of the example input file

shows the K values to be zero. Is it Ok?

Because from the expression of harmonic bond/angle style, it appears that K

=0 means, force due to bond and angle parameters becomes zero.

TIP4P is a rigid water potential. thus force constants are irrelevant,

since the geometry has to be held rigid via fix shake or rattle or

rigid

axel.