file datadir /home/Life/amadadka/pelejobs/data
file log dyn.log

energy params solvent vdgbnp
energy params ionic 0.1

load pdb initial.pdb ions no waters no het yes

load native native.pdb

pele &
	het A:1 &
	pdbmodel yes &
	init_min no &
	steric_tr 50 &
	task &
		show bind_ene 1 &
		show rmsd_sys calpha &
		show rmsd_lig 1 heavy 0.0 &
		spawn rmsd_lig 1 heavy 0 within 10.0 &
		if random 1 gt 0.5 then tra_r 0.75  else tra_r 0.3  endif &
		if random 2 gt 0.4 then rot_r 0.25  else rot_r 0.05 endif &
		exit steps gt 500 &
	end_task &
	tries 20 &
	temp 2000 &
	anmfreq 1 &
	spfreq 1 &
	mifreq 1 &
	wrfreq 1 &
	sprad 4.0 &
	side &
		randomize yes &
		iter 1 &
		verbose no &
		failsafe no &
	sideend &
	path traj_ &
	min &
		rmsg 0.04 &
		nbup yes &
		gbup yes &
		alphaup yes &
	minimend &
	mirad 100 &
	caconst 10.0 &
	rem_bulk_mov 3 &
	anm_eig_freq 100000 &
	anm_altm_freq 3 &
	anm_altm_type 3 &
#	lanmanm relebelly yes &
#	lanmanm anmrelerad 15.0 &
	lanmanm move_ca 1.25 &
	lanmanm mix_modes 0.75 &
	lanmmin &
		mxitn 100 &
		iter 1 &
		rmsg 0.04 &
		nbup yes &
		alphaup no &
	minimend