[lammps-users] would you please help me about Shake command


Dear Fiends

I want to run decane molecule in lammps with united atom model. Furthermore I want to fix bonds in 1.53 A.

I used fix shake command with m 14 15 and also with b 1. but I encountered with the following error:

shake clusters are connected.

What is you suggestion about this?

Would you please help me?



The fix shake doc page explains that you can only use SHAKE on
small clusters of atoms with LAMMPS. You can’t SHAKE all
the bonds along the backbone of a long polymer, like decane.