professor @jrgissing, know i am facing this problem i also go through the discussion list and also apply the mention changes to my system but still this error is occur.ERROR on proc 17: Bond atoms 1128 1131 missing on proc 17 at step 8532 (…/ntopo_bond_all.cpp:59), i am attaching my file please have a look
thank you so much sir
lammps.zip (32.8 KB)
this might be related to a bug I recently came across, which shows up when Impropers exist in the pre-reaction site but not the post-reaction template. Can you try the attached version to see if it fixes your problem? This was tested on the current development branch (Dec 17, 2023)
fix_bond_react.zip (40.0 KB)
Hi Sheraj,
Could you please share the final version of pre, post, and data file? I was wondering how you modify the mass type in your data file.