id	sid	tid	token	lemma	pos
sf26833914m	1	1	computing	compute	VERB
sf26833914m	1	2	electrostatic	electrostatic	ADJ
sf26833914m	1	3	interactions	interaction	NOUN
sf26833914m	1	4	is	be	AUX
sf26833914m	1	5	usually	usually	ADV
sf26833914m	1	6	the	the	DET
sf26833914m	1	7	most	most	ADV
sf26833914m	1	8	expensive	expensive	ADJ
sf26833914m	1	9	portion	portion	NOUN
sf26833914m	1	10	of	of	ADP
sf26833914m	1	11	a	a	DET
sf26833914m	1	12	molecular	molecular	ADJ
sf26833914m	1	13	dynamics	dynamic	NOUN
sf26833914m	1	14	simulation	simulation	NOUN
sf26833914m	1	15	.	.	PUNCT
sf26833914m	2	1	generally	generally	ADV
sf26833914m	2	2	,	,	PUNCT
sf26833914m	2	3	traditional	traditional	ADJ
sf26833914m	2	4	and	and	CCONJ
sf26833914m	2	5	modified	modified	ADJ
sf26833914m	2	6	ewald	ewald	NOUN
sf26833914m	2	7	methods	method	NOUN
sf26833914m	2	8	are	be	AUX
sf26833914m	2	9	used	use	VERB
sf26833914m	2	10	for	for	ADP
sf26833914m	2	11	calculating	calculate	VERB
sf26833914m	2	12	electrostatic	electrostatic	ADJ
sf26833914m	2	13	interactions	interaction	NOUN
sf26833914m	2	14	in	in	ADP
sf26833914m	2	15	molecular	molecular	ADJ
sf26833914m	2	16	dynamics	dynamic	NOUN
sf26833914m	2	17	(	(	PUNCT
sf26833914m	2	18	md	md	PROPN
sf26833914m	2	19	)	)	PUNCT
sf26833914m	2	20	communities	community	NOUN
sf26833914m	2	21	.	.	PUNCT
sf26833914m	3	1	but	but	CCONJ
sf26833914m	3	2	these	these	DET
sf26833914m	3	3	methods	method	NOUN
sf26833914m	3	4	are	be	AUX
sf26833914m	3	5	computationally	computationally	ADV
sf26833914m	3	6	very	very	ADV
sf26833914m	3	7	expensive	expensive	ADJ
sf26833914m	3	8	for	for	ADP
sf26833914m	3	9	large	large	ADJ
sf26833914m	3	10	systems	system	NOUN
sf26833914m	3	11	.	.	PUNCT
sf26833914m	4	1	there	there	PRON
sf26833914m	4	2	is	be	VERB
sf26833914m	4	3	a	a	DET
sf26833914m	4	4	growing	grow	VERB
sf26833914m	4	5	interest	interest	NOUN
sf26833914m	4	6	in	in	ADP
sf26833914m	4	7	developing	develop	VERB
sf26833914m	4	8	real	real	ADJ
sf26833914m	4	9	-	-	PUNCT
sf26833914m	4	10	space	space	NOUN
sf26833914m	4	11	methods	method	NOUN
sf26833914m	4	12	,	,	PUNCT
sf26833914m	4	13	which	which	PRON
sf26833914m	4	14	scale	scale	VERB
sf26833914m	4	15	roughly	roughly	ADV
sf26833914m	4	16	linearly	linearly	ADV
sf26833914m	4	17	with	with	ADP
sf26833914m	4	18	the	the	DET
sf26833914m	4	19	system	system	NOUN
sf26833914m	4	20	size	size	NOUN
sf26833914m	4	21	.	.	PUNCT
sf26833914m	5	1	the	the	DET
sf26833914m	5	2	real	real	ADJ
sf26833914m	5	3	-	-	PUNCT
sf26833914m	5	4	space	space	NOUN
sf26833914m	5	5	method	method	NOUN
sf26833914m	5	6	for	for	ADP
sf26833914m	5	7	charge	charge	NOUN
sf26833914m	5	8	-	-	PUNCT
sf26833914m	5	9	charge	charge	NOUN
sf26833914m	5	10	interaction	interaction	NOUN
sf26833914m	5	11	was	be	AUX
sf26833914m	5	12	originally	originally	ADV
sf26833914m	5	13	developed	develop	VERB
sf26833914m	5	14	by	by	ADP
sf26833914m	5	15	wolf	wolf	PROPN
sf26833914m	5	16	and	and	CCONJ
sf26833914m	5	17	extended	extend	VERB
sf26833914m	5	18	by	by	ADP
sf26833914m	5	19	gezelter	gezelter	PROPN
sf26833914m	5	20	et	et	PROPN
sf26833914m	5	21	al	al	PROPN
sf26833914m	5	22	.	.	PUNCT
sf26833914m	6	1	in	in	ADP
sf26833914m	6	2	this	this	DET
sf26833914m	6	3	dissertation	dissertation	NOUN
sf26833914m	6	4	,	,	PUNCT
sf26833914m	6	5	i	i	PRON
sf26833914m	6	6	present	present	VERB
sf26833914m	6	7	three	three	NUM
sf26833914m	6	8	new	new	ADJ
sf26833914m	6	9	real	real	ADJ
sf26833914m	6	10	-	-	PUNCT
sf26833914m	6	11	space	space	NOUN
sf26833914m	6	12	methods	method	NOUN
sf26833914m	6	13	:	:	PUNCT
sf26833914m	6	14	shifted	shift	VERB
sf26833914m	6	15	potential	potential	ADJ
sf26833914m	6	16	(	(	PUNCT
sf26833914m	6	17	sp	sp	NOUN
sf26833914m	6	18	)	)	PUNCT
sf26833914m	6	19	,	,	PUNCT
sf26833914m	6	20	gradient	gradient	NOUN
sf26833914m	6	21	-	-	PUNCT
sf26833914m	6	22	shifted	shift	VERB
sf26833914m	6	23	force	force	NOUN
sf26833914m	6	24	(	(	PUNCT
sf26833914m	6	25	gsf	gsf	PROPN
sf26833914m	6	26	)	)	PUNCT
sf26833914m	6	27	,	,	PUNCT
sf26833914m	6	28	and	and	CCONJ
sf26833914m	6	29	taylor	taylor	PROPN
sf26833914m	6	30	-	-	PUNCT
sf26833914m	6	31	shifted	shift	VERB
sf26833914m	6	32	force	force	NOUN
sf26833914m	6	33	(	(	PUNCT
sf26833914m	6	34	tsf	tsf	PROPN
sf26833914m	6	35	)	)	PUNCT
sf26833914m	6	36	,	,	PUNCT
sf26833914m	6	37	for	for	ADP
sf26833914m	6	38	computing	compute	VERB
sf26833914m	6	39	electrostatic	electrostatic	ADJ
sf26833914m	6	40	interactions	interaction	NOUN
sf26833914m	6	41	between	between	ADP
sf26833914m	6	42	charges	charge	NOUN
sf26833914m	6	43	,	,	PUNCT
sf26833914m	6	44	dipoles	dipole	NOUN
sf26833914m	6	45	,	,	PUNCT
sf26833914m	6	46	and	and	CCONJ
sf26833914m	6	47	quadrupoles	quadrupole	NOUN
sf26833914m	6	48	.	.	PUNCT
sf26833914m	7	1	i	i	PRON
sf26833914m	7	2	also	also	ADV
sf26833914m	7	3	discuss	discuss	VERB
sf26833914m	7	4	the	the	DET
sf26833914m	7	5	various	various	ADJ
sf26833914m	7	6	static	static	ADJ
sf26833914m	7	7	and	and	CCONJ
sf26833914m	7	8	dynamic	dynamic	ADJ
sf26833914m	7	9	properties	property	NOUN
sf26833914m	7	10	evaluated	evaluate	VERB
sf26833914m	7	11	using	use	VERB
sf26833914m	7	12	the	the	DET
sf26833914m	7	13	newly	newly	ADV
sf26833914m	7	14	developed	develop	VERB
sf26833914m	7	15	real	real	ADJ
sf26833914m	7	16	-	-	PUNCT
sf26833914m	7	17	space	space	NOUN
sf26833914m	7	18	methods	method	NOUN
sf26833914m	7	19	.	.	PUNCT
sf26833914m	8	1	additionally	additionally	ADV
sf26833914m	8	2	,	,	PUNCT
sf26833914m	8	3	i	i	PRON
sf26833914m	8	4	use	use	VERB
sf26833914m	8	5	three	three	NUM
sf26833914m	8	6	methods	method	NOUN
sf26833914m	8	7	:	:	PUNCT
sf26833914m	8	8	fluctuation	fluctuation	NOUN
sf26833914m	8	9	,	,	PUNCT
sf26833914m	8	10	perturbation	perturbation	NOUN
sf26833914m	8	11	,	,	PUNCT
sf26833914m	8	12	and	and	CCONJ
sf26833914m	8	13	potentials	potential	NOUN
sf26833914m	8	14	of	of	ADP
sf26833914m	8	15	mean	mean	ADJ
sf26833914m	8	16	force	force	NOUN
sf26833914m	8	17	(	(	PUNCT
sf26833914m	8	18	pmf	pmf	PROPN
sf26833914m	8	19	)	)	PUNCT
sf26833914m	8	20	,	,	PUNCT
sf26833914m	8	21	for	for	ADP
sf26833914m	8	22	computing	compute	VERB
sf26833914m	8	23	dielectric	dielectric	ADJ
sf26833914m	8	24	properties	property	NOUN
sf26833914m	8	25	for	for	ADP
sf26833914m	8	26	multipolar	multipolar	ADJ
sf26833914m	8	27	fluids	fluid	NOUN
sf26833914m	8	28	.	.	PUNCT
sf26833914m	9	1	the	the	DET
sf26833914m	9	2	sp	sp	NOUN
sf26833914m	9	3	method	method	NOUN
sf26833914m	9	4	is	be	AUX
sf26833914m	9	5	the	the	DET
sf26833914m	9	6	multipolar	multipolar	ADJ
sf26833914m	9	7	version	version	NOUN
sf26833914m	9	8	of	of	ADP
sf26833914m	9	9	wolf	wolf	PROPN
sf26833914m	9	10	's	's	PART
sf26833914m	9	11	electrostatic	electrostatic	ADJ
sf26833914m	9	12	method	method	NOUN
sf26833914m	9	13	.	.	PUNCT
sf26833914m	10	1	similarly	similarly	ADV
sf26833914m	10	2	,	,	PUNCT
sf26833914m	10	3	the	the	DET
sf26833914m	10	4	gsf	gsf	NOUN
sf26833914m	10	5	and	and	CCONJ
sf26833914m	10	6	tsf	tsf	ADJ
sf26833914m	10	7	method	method	NOUN
sf26833914m	10	8	are	be	AUX
sf26833914m	10	9	natural	natural	ADJ
sf26833914m	10	10	extensions	extension	NOUN
sf26833914m	10	11	of	of	ADP
sf26833914m	10	12	the	the	DET
sf26833914m	10	13	original	original	ADJ
sf26833914m	10	14	damped	damp	VERB
sf26833914m	10	15	shifted	shift	VERB
sf26833914m	10	16	force	force	NOUN
sf26833914m	10	17	(	(	PUNCT
sf26833914m	10	18	dsf	dsf	PROPN
sf26833914m	10	19	)	)	PUNCT
sf26833914m	10	20	method	method	NOUN
sf26833914m	10	21	developed	develop	VERB
sf26833914m	10	22	.	.	PUNCT
sf26833914m	11	1	the	the	DET
sf26833914m	11	2	energies	energy	NOUN
sf26833914m	11	3	evaluated	evaluate	VERB
sf26833914m	11	4	using	use	VERB
sf26833914m	11	5	the	the	DET
sf26833914m	11	6	sp	sp	NOUN
sf26833914m	11	7	method	method	NOUN
sf26833914m	11	8	shows	show	VERB
sf26833914m	11	9	quantitative	quantitative	ADJ
sf26833914m	11	10	agreement	agreement	NOUN
sf26833914m	11	11	with	with	ADP
sf26833914m	11	12	the	the	DET
sf26833914m	11	13	ewald	ewald	PROPN
sf26833914m	11	14	sum	sum	PROPN
sf26833914m	11	15	,	,	PUNCT
sf26833914m	11	16	therefore	therefore	ADV
sf26833914m	11	17	it	it	PRON
sf26833914m	11	18	is	be	AUX
sf26833914m	11	19	a	a	DET
sf26833914m	11	20	good	good	ADJ
sf26833914m	11	21	choice	choice	NOUN
sf26833914m	11	22	for	for	ADP
sf26833914m	11	23	monte	monte	PROPN
sf26833914m	11	24	carlo	carlo	PROPN
sf26833914m	11	25	(	(	PUNCT
sf26833914m	11	26	mc	mc	PROPN
sf26833914m	11	27	)	)	PUNCT
sf26833914m	11	28	simulations	simulation	NOUN
sf26833914m	11	29	.	.	PUNCT
sf26833914m	12	1	the	the	DET
sf26833914m	12	2	energies	energy	NOUN
sf26833914m	12	3	,	,	PUNCT
sf26833914m	12	4	forces	force	NOUN
sf26833914m	12	5	,	,	PUNCT
sf26833914m	12	6	and	and	CCONJ
sf26833914m	12	7	torques	torque	NOUN
sf26833914m	12	8	calculated	calculate	VERB
sf26833914m	12	9	from	from	ADP
sf26833914m	12	10	the	the	DET
sf26833914m	12	11	gsf	gsf	NOUN
sf26833914m	12	12	method	method	NOUN
sf26833914m	12	13	agree	agree	VERB
sf26833914m	12	14	with	with	ADP
sf26833914m	12	15	the	the	DET
sf26833914m	12	16	ewald	ewald	PROPN
sf26833914m	12	17	's	's	PART
sf26833914m	12	18	result	result	NOUN
sf26833914m	12	19	and	and	CCONJ
sf26833914m	12	20	produce	produce	VERB
sf26833914m	12	21	excellent	excellent	ADJ
sf26833914m	12	22	conservation	conservation	NOUN
sf26833914m	12	23	of	of	ADP
sf26833914m	12	24	energy	energy	NOUN
sf26833914m	12	25	in	in	ADP
sf26833914m	12	26	md	md	PROPN
sf26833914m	12	27	simulations	simulation	NOUN
sf26833914m	12	28	.	.	PUNCT
sf26833914m	13	1	both	both	PRON
sf26833914m	13	2	sp	sp	NOUN
sf26833914m	13	3	and	and	CCONJ
sf26833914m	13	4	gsf	gsf	NOUN
sf26833914m	13	5	method	method	NOUN
sf26833914m	13	6	with	with	ADP
sf26833914m	13	7	a	a	DET
sf26833914m	13	8	suitable	suitable	ADJ
sf26833914m	13	9	damping	damp	VERB
sf26833914m	13	10	parameter	parameter	NOUN
sf26833914m	13	11	perform	perform	VERB
sf26833914m	13	12	remarkably	remarkably	ADV
sf26833914m	13	13	well	well	ADV
sf26833914m	13	14	in	in	ADP
sf26833914m	13	15	predicting	predict	VERB
sf26833914m	13	16	static	static	ADJ
sf26833914m	13	17	and	and	CCONJ
sf26833914m	13	18	dynamic	dynamic	ADJ
sf26833914m	13	19	properties	property	NOUN
sf26833914m	13	20	of	of	ADP
sf26833914m	13	21	liquid	liquid	ADJ
sf26833914m	13	22	systems	system	NOUN
sf26833914m	13	23	.	.	PUNCT
sf26833914m	14	1	for	for	ADP
sf26833914m	14	2	the	the	DET
sf26833914m	14	3	both	both	CCONJ
sf26833914m	14	4	dipolar	dipolar	ADJ
sf26833914m	14	5	and	and	CCONJ
sf26833914m	14	6	quadrupolar	quadrupolar	ADJ
sf26833914m	14	7	fluids	fluid	NOUN
sf26833914m	14	8	,	,	PUNCT
sf26833914m	14	9	the	the	DET
sf26833914m	14	10	dielectric	dielectric	ADJ
sf26833914m	14	11	properties	property	NOUN
sf26833914m	14	12	predicted	predict	VERB
sf26833914m	14	13	using	use	VERB
sf26833914m	14	14	the	the	DET
sf26833914m	14	15	perturbation	perturbation	NOUN
sf26833914m	14	16	method	method	NOUN
sf26833914m	14	17	agree	agree	VERB
sf26833914m	14	18	with	with	ADP
sf26833914m	14	19	those	those	PRON
sf26833914m	14	20	from	from	ADP
sf26833914m	14	21	the	the	DET
sf26833914m	14	22	fluctuation	fluctuation	NOUN
sf26833914m	14	23	formula	formula	NOUN
sf26833914m	14	24	.	.	PUNCT
sf26833914m	15	1	real	real	ADJ
sf26833914m	15	2	-	-	PUNCT
sf26833914m	15	3	space	space	NOUN
sf26833914m	15	4	methods	method	NOUN
sf26833914m	15	5	need	need	VERB
sf26833914m	15	6	a	a	DET
sf26833914m	15	7	correction	correction	NOUN
sf26833914m	15	8	factor	factor	NOUN
sf26833914m	15	9	to	to	PART
sf26833914m	15	10	obtain	obtain	VERB
sf26833914m	15	11	dielectric	dielectric	ADJ
sf26833914m	15	12	constants	constant	NOUN
sf26833914m	15	13	and	and	CCONJ
sf26833914m	15	14	susceptibilities	susceptibility	NOUN
sf26833914m	15	15	from	from	ADP
sf26833914m	15	16	the	the	DET
sf26833914m	15	17	directly	directly	ADV
sf26833914m	15	18	measurable	measurable	ADJ
sf26833914m	15	19	polarizabilities	polarizabilitie	NOUN
sf26833914m	15	20	extracted	extract	VERB
sf26833914m	15	21	from	from	ADP
sf26833914m	15	22	the	the	DET
sf26833914m	15	23	simulation	simulation	NOUN
sf26833914m	15	24	.	.	PUNCT
sf26833914m	16	1	i	i	PRON
sf26833914m	16	2	tabulate	tabulate	VERB
sf26833914m	16	3	the	the	DET
sf26833914m	16	4	correction	correction	NOUN
sf26833914m	16	5	factors	factor	NOUN
sf26833914m	16	6	for	for	ADP
sf26833914m	16	7	both	both	CCONJ
sf26833914m	16	8	dipolar	dipolar	ADJ
sf26833914m	16	9	and	and	CCONJ
sf26833914m	16	10	quadrupolar	quadrupolar	ADJ
sf26833914m	16	11	fluid	fluid	NOUN
sf26833914m	16	12	for	for	ADP
sf26833914m	16	13	all	all	DET
sf26833914m	16	14	real	real	ADJ
sf26833914m	16	15	-	-	PUNCT
sf26833914m	16	16	space	space	NOUN
sf26833914m	16	17	methods	method	NOUN
sf26833914m	16	18	as	as	ADV
sf26833914m	16	19	well	well	ADV
sf26833914m	16	20	as	as	ADP
sf26833914m	16	21	the	the	DET
sf26833914m	16	22	ewald	ewald	PROPN
sf26833914m	16	23	sum	sum	PROPN
sf26833914m	16	24	.	.	PUNCT
sf26833914m	17	1	finally	finally	ADV
sf26833914m	17	2	,	,	PUNCT
sf26833914m	17	3	the	the	DET
sf26833914m	17	4	dielectric	dielectric	NOUN
sf26833914m	17	5	screening	screening	NOUN
sf26833914m	17	6	from	from	ADP
sf26833914m	17	7	the	the	DET
sf26833914m	17	8	perturbation	perturbation	NOUN
sf26833914m	17	9	and	and	CCONJ
sf26833914m	17	10	fluctuation	fluctuation	NOUN
sf26833914m	17	11	method	method	NOUN
sf26833914m	17	12	are	be	AUX
sf26833914m	17	13	compared	compare	VERB
sf26833914m	17	14	with	with	ADP
sf26833914m	17	15	the	the	DET
sf26833914m	17	16	directly	directly	ADV
sf26833914m	17	17	measured	measure	VERB
sf26833914m	17	18	screening	screening	NOUN
sf26833914m	17	19	factors	factor	NOUN
sf26833914m	17	20	using	use	VERB
sf26833914m	17	21	the	the	DET
sf26833914m	17	22	pmf	pmf	PROPN
sf26833914m	17	23	method	method	NOUN
sf26833914m	17	24	.	.	PUNCT