protein: equilibration
 &cntrl
	imin   = 0,
	irest  = 1,
	ntx    = 5,
	ntb    = 2,
	cut    = 10,
	ntp    = 1,
	ntc    = 2,
	ntf    = 2,
	taup    = 2.0,
	temp0  = 300.0,
	ntt    = 3,
	gamma_ln = 2.0,
	nstlim = 1000000, dt = 0.002,
	ntpr = 5000, ntwx = 5000
 /
