[lammps-users] fix shake problem

Dear all,

i want to simulate a molecule as rigid, lets say CO2. The first way that i tried was with very large parameters at the bond_coeff and the angle_coeff commands. When i tried to add a fix shake command i am receiving errors with pressure taking nan. SO i tried to use a smaller timestep and it started working, but unfortunately it is too small. any thoughts why this is happening?


Again, don't use fix shake on a linear molecule. Use fix rigid


2010/9/22 Jim Jim <[email protected]>: