I am simulating alkanes (currently dodecane) using LAMMPS.
I am treating by molecule as being made up of CH3 and CH2 groups, and am using the OPLS force field to define my bonds, angles, dihedrals.
Is it possible to keep the bond length fixed in LAMMPS. I have seen the fix_shake command, but this says it can only be used for very small molecules and cannot be used for a hydrocarbon backbone.
University of Edinburgh