Illegal pair_coeff command

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1



Hi all.








I’m trying to run the MD simulation for actin.



Psfgen and charmm2lammps were used for data generation.



But when I tried to run the simulation using input script generated by charmm2lammps tool.



It showed error message.



"ERROR: Illegal pair_coeff command (pair_lj_charmm_coul_long.cpp:670)"



I checked the number of atom types and pair coeffs and I couldn’t find any problem.








Can anyone tell me what is the problem?








* I attach input and data file.

G_actin.data (2.63 MB)

G_actin.in (762 Bytes)

2

The problem is that pair_coeff was not defined.

Ray

3

There are pair coefficients defined in the data file, but no space between the word “Pair Coeffs” and the numbers in the data file.

C. W. Jang