[lammps-users] problem with fix shake

Dear sir,

I have to use shake algorithm for alkanes(united atom model). But according to the lammps manual I cannot use fix shake for alkane chains like hexane or heptane. Is there any way out to do this? Any suggestions will be highly appreciated.

kind regards

Nope. LAMMPS cannot apply SHAKE to a large extended body
like a polymer chain backbone. It's not a particularly parallel