Haofan Sun

4 Questions 7 Answers 0 Followers

Questions related from Haofan Sun

Any suggests about LAMMPS Error:"ERROR on proc 0: Bond atoms % % missing on proc 0 at step % (src/ntopo_bond_all.cpp:60)"?

Hello to all, I'm using REAXFF force field to build a PE model including bonds information. However, the system feedbacks with “ERROR on proc 0: Bond atoms 12 13 missing on proc 0 at step 10692...

09 September 2021 8,663 6 View

Any suggests about applying REAXFF forcefield in LAMMPS?

Hello to all, I'm trying to apply REAXFF forcefield on my PE model in LAMMPS. Everything is good with the REAX/C. But it seems that REAX/C doesn't work for model with bonds information. Thus, I...

04 September 2021 1,132 6 View

Applying pcff forcefield in LAMMPS

Hello to All, Any suggests in writing LAMMPS input file of pcff forcefield? I couldn't find one in the lammps manual, especially for the pair_style and pair_coeff part. Thanks in advance.

01 January 1970 4,795 2 View

Converting pdb. file of polymer model into lammps data file

Hello to All, When converting a pdb. file (generated by Materials Studio) of polymer model(PE,PLA) into lammps data file by VMD topo tools, there's too many atom types in the output file(lammps...

01 January 1970 489 6 View