I built a cristal structure by combining two periodic boxes by using Build Layers. When I start the dynamic simulation in Forcite, the program gives an error:
96 inversion(s) have been deleted from the energy expression as they have no forcefield parameters.
---- Thermostat ----
Nose mass parameter, Q mass: 2768.35 kcal/mol*ps^2
Dynamics calculation - Aborting dynamics.
An unphysical integration step (>100 Angstroms) has been detected.
Try reducing the time step or relaxing the structure first.
How can I solve this problem?