Dear lammps users,
All the bonded energy (bond, dihedral, improper) are equal to article value, but the angle value is so big. Also, I am getting a rather small for VdW energy and big for electrostatic energy. I checked the parameters three times. What can be wrong?

I am using Amber force field. This is my input:

units real

boundary p p p
atom_style full

bond_style harmonic
angle_style charmm
dihedral_style charmm
improper_style cvff
pair_style lj/charmm/coul/long 13 15
pair_modify mix arithmetic tail yes
kspace_style ewald 1.0e-4
neighbor 2.0 bin
neigh_modify delay 2 every 1 check yes
special_bonds amber

minimize 1.0e-10 1.0e-12 10000 10000

velocity all create 313 4928459 rot yes dist gaussian

timestep 2.0

run_style respa 4 2 2 2 pair 1 kspace 4

fix 1 all nve
run 10000
unfix 1
fix 3 all npt temp 313 313 30.0 iso 0.9671848 0.9671848 700.00

Thanks in advance

Dear all,
please tell me something about the deviation on the angle energy. I know that deviation for electrostatic and VdW could
be from wrong input command and I can fix it finally, but the angle deviation is not reasonable since bond and torsions work really fine, and I checked the parameters so much.
Best regards

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