[lammps-users] minimization issues

Dear lammps users,

I have two different structures in my simulation box. Some molecules (moving) and a structure that is not moving. I have put the molecules in a grid so there are no overlapping issues. I want to minimize my system but as the not moving structure is rigid i cannot use the minimize command. So i tried to use something like nve/limit and then change to nvt or nve. My problem is that the potential energy and the pressure remain very large so something is going wrong. The physics of the problem (meaning the data file) is not wrong because i run the simulation without the rigid object with minimize command and everything works fine as long as with npt integrator. What should i do in order to minimze the system ?


If you use fix setforce to set the force on the non-moving atoms to
0, then you can minimize the other mobile atoms. And the
non-moving ones will not move during the min. See the
doc pages for the fix setforce and minimize commands.