Invalid dihedral style

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1

Dear lammps users,

I have this error “Invalid dihedral style” in my bead-spring model. I have double checked the input file and updated the lammps to the newest version, but still cannot work it through. I would really appreciate if any help is given. Below please see part of my input file. Thank you very much in advance.

#---------------------Initialization----------------------
units real
atom_style molecular
dimension 3
boundary p p p
read_data bead_spring.data

mass * 1
timestep 1
neighbor 2 bin

#----------------------Group Setting----------------------
group chain1 type 5 3 1
group chain2 type 6 4 2

#----------------------Force Fields-----------------------

bond_style harmonic
bond_coeff 1 500.00 10.00

angle_style harmonic
angle_coeff 1 5000.00 180.00

dihedral_style table linear 360
dihedral_coeff 1 table_dihedral.txt DIH_TABLE1

2

Dear lammps users,

I have this error "Invalid dihedral style" in my bead-spring model. I have
double checked the input file and updated the lammps to the newest version,
but still cannot work it through. I would really appreciate if any help is

did you also install the USER-MISC package when compiling LAMMPS?

axel.

3

Hi Axel,

I did not install USER-MISC package.
May I ask where I can find this package?
Thanks.

4

Hi Axel,

I did not install USER-MISC package.
May I ask where I can find this package?

It is part of lammps, of course. Please see the documentation of the table dihedral style and the lammps installation instructions in the lammps manual.

5

http://lammps.sandia.gov/doc/Section_start.html#start_3

6

A word of warning at the moment:

I am noticing a small problem using dihedral_style table (which only
pops up when the dihedral potential energy is not an even function of
the dihedral angle (phi). If the function you are using is an even
function it should be okay.)

I am surprised by this because I tested this before. I need this to
work for my own project, so I will eventually fix this if indeed there
is a problem. Just be careful.

Andrew