GROMACS version:2022.03
Hello dear gromacs users. I wanted to apply a unidirectional, oscillating electric field to a system consisting of the solvent and a protein molecule. According to the documentation E0, omega, t0 and sigma should be shown in this order in mdp and I have shown as follows:
electric-field-x = 0 0 0 0
electric-field-y = 0 0 0 0
electric-field-z = 0.4 0.0015708 0 0
Since there is no pulsed field, I indicated that sigma=0. But I couldn’t figure out what t0 means.
Can I apply oscillating field to the system with my mdp parameters above? Or should I include t0 as wel?
The t0 field represents the frequency that the potential is applied at maximum strength. See this equation in the docs https://manual.gromacs.org/current/reference-manual/special/electric-fields.html#equation-eq-efield