; VARIOUS PREPROCESSING OPTIONS = title = cpp = /lib/cpp include = define = -DFLEXIBLE ; RUN CONTROL PARAMETERS = integrator = steep ; start time and timestep in ps = tinit = 0 dt = 0.001 nsteps = 100 ; ENERGY MINIMIZATION OPTIONS = emtol = 0.00001 emstep = 0.1 nstcgsteep = 1000