Hi,
Is there a way to put fix SHAKE on a polymer? I did this with the fortran
LAMMPS however there seems to be a restriction in the C++ Lammps on the
number of atoms in a SHAKE.
Thanks
Hi,
Is there a way to put fix SHAKE on a polymer? I did this with the fortran
LAMMPS however there seems to be a restriction in the C++ Lammps on the
number of atoms in a SHAKE.
Thanks
The current LAMMPS does everything the Fortran version did.
You can shake H bonds in a polymer. Just not all backbone
C-C bonds.
Steve