example - OpenGrok cross reference for /dports/science/tinker/tinker/example/

             ########################################
             EXAMPLE Directory for the Tinker Package
             ########################################

This directory contains several sample molecules and test files
for use with the Tinker program package. The systems use various
force fields. Some equilibrated molecular dynamics restart files
for water, butane, etc. are present as *.dyn files.
Name		Date	Size	#Lines	LOC
..		03-May-2022	-
0README	H A D	25-Feb-2018	460	11	7
alatet.int	H A D	31-Mar-2016	2.9 KiB	44	43
alatet.key	H A D	29-Jun-2018	141	9	6
alatet.seq	H A D	31-Mar-2016	32	2	1
alatet.xyz	H A D	31-Mar-2016	2.7 KiB	44	43
alkane.key	H A D	31-Mar-2016	54	3	2
alkane.xyz	H A D	31-Mar-2016	7.7 KiB	121	120
ammonia.key	H A D	31-Mar-2016	38	2	1
ammonia.xyz	H A D	28-Jul-2016	526	10	9
amoeba.key	H A D	11-Oct-2020	72	3	2
amoeba.xyz	H A D	14-May-2019	399	8	7
anthracene.key	H A D	31-Mar-2016	29	2	1
anthracene.xyz	H A D	31-Mar-2016	1.6 KiB	26	25
aplus.key	H A D	23-Apr-2021	39	2	1
aplus.xyz	H A D	25-Apr-2021	400	8	7
aplussmall.dyn	H A D	23-Apr-2021	200.3 KiB	2,602	2,601
aplussmall.key	H A D	04-Oct-2021	408	18	14
aplussmall.xyz	H A D	23-Apr-2021	39.4 KiB	651	650
arach.int	H A D	31-Mar-2016	3.7 KiB	56	55
arach.key	H A D	31-Mar-2016	36	3	2
arach.xyz	H A D	31-Mar-2016	3.5 KiB	56	55
aspirin.key	H A D	31-Mar-2016	53	3	2
aspirin.xyz	H A D	31-Mar-2016	1.4 KiB	23	22
azulene.int	H A D	31-Mar-2016	1.2 KiB	23	21
azulene.key	H A D	06-Jul-2019	80	4	3
azulene.mol2	H A D	01-Jun-2020	2 KiB	50	46
azulene.xyz	H A D	31-Mar-2016	1.2 KiB	20	19
bdna.key	H A D	29-Nov-2016	40	3	2
bdna.make	H A D	31-Mar-2016	84	18	16
bdna.pdb	H A D	31-Mar-2016	40.8 KiB
bdna.seq	H A D	31-Mar-2016	121	4	2
bdna.xyz	H A D	31-Mar-2016	49.6 KiB	760	759
bdna2.key	H A D	22-Jul-2021	61	4	3
bdna2.seq	H A D	29-Apr-2021	121	4	2
bdna2.xyz	H A D	29-Apr-2021	49.6 KiB	760	759
bearing.key	H A D	31-Mar-2016	41	3	2
bearing.xyz	H A D	31-Mar-2016	16.8 KiB	248	247
bearing2.key	H A D	31-Mar-2016	41	3	2
benzamidine.key	H A D	31-Mar-2016	36	2	1
benzamidine.xyz	H A D	31-Mar-2016	1.2 KiB	20	19
benzbox.key	H A D	08-Jan-2019	178	9	8
benzbox.xyz	H A D	31-Mar-2016	247.6 KiB	3,842	3,841
benzene.dyn	H A D	15-Jul-2018	392.9 KiB	5,098	5,097
benzene.int	H A D	31-Mar-2016	780	16	14
benzene.key	H A D	03-Feb-2017	57	3	2
benzene.xyz	H A D	31-Mar-2016	808	14	13
book.key	H A D	29-Mar-2017	36	2	1
book.xyz	H A D	31-Mar-2016	1.1 KiB	20	19
bowl.int	H A D	31-Mar-2016	2.1 KiB	39	37
bowl.key	H A D	31-Mar-2016	91	3	2
bowl.xyz	H A D	31-Mar-2016	2 KiB	32	31
bowl2.key	H A D	31-Mar-2016	91	3	2
bowl2.xyz	H A D	31-Mar-2016	2 KiB	32	31
bowl3.key	H A D	31-Mar-2016	103	4	3
bowl3.xyz	H A D	31-Mar-2016	2 KiB	32	31
bucky.int	H A D	07-Aug-2016	4.9 KiB	94	92
bucky.key	H A D	12-Feb-2018	78	5	4
bucky.xyz	H A D	09-Aug-2016	4.6 KiB	62	61
butane.int	H A D	31-Mar-2016	931	16	15
butane.key	H A D	08-Feb-2017	29	2	1
butane.xyz	H A D	31-Mar-2016	949	16	15
butane2.int	H A D	31-Mar-2016	929	16	15
butane2.key	H A D	31-Mar-2016	29	2	1
butane2.xyz	H A D	31-Mar-2016	947	16	15
butanes.dyn	H A D	31-Mar-2016	216.4 KiB	2,810	2,809
butanes.key	H A D	31-Mar-2016	163	10	7
butanes.xyz	H A D	31-Mar-2016	44.6 KiB	702	701
butanex.key	H A D	31-Mar-2016	220	13	10
butanex.xyz	H A D	31-Mar-2016	12.8 KiB	218	217
butopls.int	H A D	31-Mar-2016	211	6	5
butopls.key	H A D	31-Mar-2016	32	2	1
butopls.xyz	H A D	31-Mar-2016	289	6	5
butopls2.int	H A D	31-Mar-2016	209	6	5
butopls2.key	H A D	31-Mar-2016	33	2	1
butopls2.xyz	H A D	31-Mar-2016	287	6	5
c5.int	H A D	31-Mar-2016	1.5 KiB	24	23
c5.key	H A D	31-Mar-2016	37	2	1
c5.seq	H A D	31-Mar-2016	24	2	1
c5.xyz	H A D	31-Mar-2016	1.5 KiB	24	23
c7a.int	H A D	31-Mar-2016	1.5 KiB	24	23
c7a.key	H A D	31-Mar-2016	37	2	1
c7a.seq	H A D	31-Mar-2016	24	2	1
c7a.xyz	H A D	31-Mar-2016	1.5 KiB	24	23
c7e.int	H A D	31-Mar-2016	1.5 KiB	24	23
c7e.key	H A D	31-Mar-2016	37	2	1
c7e.seq	H A D	31-Mar-2016	24	2	1
c7e.xyz	H A D	31-Mar-2016	1.5 KiB	24	23
cage.key	H A D	31-Mar-2016	36	2	1
cage.xyz	H A D	31-Mar-2016	1.1 KiB	20	19
calmodulin.key	H A D	31-Mar-2016	32	2	1
calmodulin.pdb	H A D	31-Mar-2016	95.9 KiB
calmodulin.seq	H A D	31-Mar-2016	712	11	10
calmodulin.xyz	H A D	31-Mar-2016	146.1 KiB	2,266	2,265
cawater.key	H A D	31-Mar-2016	36	2	1
cawater.xyz	H A D	31-Mar-2016	268	6	5
cln025.int	H A D	21-Nov-2018	11.7 KiB	175	173
cln025.key	H A D	17-Feb-2021	392	16	12
cln025.make	H A D	31-Mar-2016	88	15	13
cln025.pdb	H A D	31-Mar-2016	14.1 KiB
cln025.seq	H A D	31-Mar-2016	52	2	1
cln025.xyz	H A D	31-Mar-2016	10.8 KiB	168	167
copper.key	H A D	31-Mar-2016	470	16	11
copper.xyz	H A D	31-Mar-2016	2.4 KiB	39	38
cpentene.key	H A D	31-Mar-2016	35	3	2
cpentene.xyz	H A D	31-Mar-2016	879	15	14
crambin.dyn	H A D	31-Mar-2016	198.5 KiB	2,578	2,577
crambin.key	H A D	16-Nov-2018	148	11	8
crambin.pdb	H A D	31-Mar-2016	91.1 KiB
crambin.seq	H A D	31-Mar-2016	232	5	4
crambin.xyz	H A D	31-Mar-2016	41.6 KiB	644	643
crambin2.key	H A D	29-Sep-2021	303	18	14
crambin2.xyz	H A D	31-Mar-2016	85.8 KiB	1,362	1,361
crambin3.key	H A D	17-Feb-2019	5.4 KiB	115	103
crambin3.xyz	H A D	31-Mar-2016	121.8 KiB	1,922	1,921
crown.int	H A D	31-Mar-2016	3.7 KiB	58	56
crown.key	H A D	31-Mar-2016	29	2	1
crown.xyz	H A D	31-Mar-2016	3.5 KiB	56	55
cychept.int	H A D	31-Mar-2016	3.5 KiB	55	53
cychept.key	H A D	31-Mar-2016	79	4	3
cychept.xyz	H A D	31-Mar-2016	3.3 KiB	53	52
cyclo.int	H A D	31-Mar-2016	1.2 KiB	22	20
cyclo.key	H A D	06-Jul-2019	49	4	3
cyclo.xyz	H A D	31-Mar-2016	1.2 KiB	20	19
cyclo2.int	H A D	31-Mar-2016	1.2 KiB	22	20
cyclo2.key	H A D	31-Mar-2016	41	3	2
cyclo2.xyz	H A D	31-Mar-2016	1.2 KiB	20	19
cycprop.key	H A D	06-Jul-2019	28	2	1
cycprop.xyz	H A D	31-Mar-2016	615	11	10
dang.key	H A D	31-Mar-2016	2.2 KiB	56	44
dang.xyz	H A D	31-Mar-2016	535	10	9
deltorphin.int	H A D	31-Mar-2016	9.1 KiB	135	133
deltorphin.key	H A D	14-Aug-2021	69	4	3
deltorphin.make	H A D	31-Mar-2016	92	13	11
deltorphin.seq	H A D	31-Mar-2016	44	2	1
deltorphin.xyz	H A D	16-Aug-2021	8.4 KiB	131	130
dhfr.key	H A D	10-Feb-2021	565	16	14
dhfr.pdb	H A D	31-Mar-2016	1.7 MiB
dhfr.seq	H A D	25-Jun-2020	768	12	11
dhfr.xyz	H A D	26-Jun-2020	1.4 MiB	23,560	23,559
dhfr2.key	H A D	01-Oct-2020	655	19	17
dhfr2.seq	H A D	31-Mar-2016	768	12	11
dhfr2.xyz	H A D	26-Jun-2020	1.4 MiB	23,560	23,559
diamond.key	H A D	31-Mar-2016	169	8	6
diamond.xyz	H A D	31-Mar-2016	39 KiB	514	513
diene.int	H A D	31-Mar-2016	624	12	11
diene.key	H A D	31-Mar-2016	64	4	3
diene.xyz	H A D	31-Mar-2016	666	12	11
dimethane.key	H A D	31-Mar-2016	116	4	3
dimethane.xyz	H A D	31-Mar-2016	15 KiB	264	242
dmp.key	H A D	31-Mar-2016	5.4 KiB	100	96
dmp.xyz	H A D	31-Mar-2016	853	15	14
dmso.key	H A D	23-Sep-2020	23	2	1
dmso.prm	H A D	23-Sep-2020	2.8 KiB	99	69
dmso.xyz	H A D	23-Sep-2020	695	12	11
dmsobox.key	H A D	23-Sep-2020	134	9	8
dmsobox.xyz	H A D	23-Sep-2020	74.2 KiB	1,173	1,172
enkephalin.int	H A D	31-Mar-2016	5.2 KiB	80	78
enkephalin.key	H A D	17-Feb-2019	212	15	10
enkephalin.make	H A D	31-Mar-2016	194	10	8
enkephalin.seq	H A D	31-Mar-2016	32	2	1
enkephalin.xyz	H A D	31-Mar-2016	4.9 KiB	77	76
ermer.int	H A D	31-Mar-2016	2.1 KiB	37	35
ermer.key	H A D	31-Mar-2016	109	7	6
ermer.xyz	H A D	31-Mar-2016	2.4 KiB	32	31
ester.key	H A D	31-Mar-2016	60	3	2
ester.xyz	H A D	31-Mar-2016	737	13	12
ethane.int	H A D	31-Mar-2016	477	10	9
ethane.key	H A D	31-Mar-2016	48	4	3
ethane.xyz	H A D	31-Mar-2016	531	10	9
ethanol.int	H A D	31-Mar-2016	550	11	10
ethanol.key	H A D	31-Mar-2016	35	3	2
ethanol.xyz	H A D	31-Mar-2016	598	11	10
ether.key	H A D	31-Mar-2016	36	2	1
ether.xyz	H A D	31-Mar-2016	605	11	10
etherbox.dyn	H A D	31-Mar-2016	194.8 KiB	2,530	2,529
etherbox.key	H A D	15-Oct-2018	237	10	8
etherbox.xyz	H A D	31-Mar-2016	39.8 KiB	632	631
ethylene.int	H A D	31-Mar-2016	335	8	7
ethylene.key	H A D	31-Mar-2016	60	4	3
ethylene.xyz	H A D	31-Mar-2016	401	8	7
flane.int	H A D	31-Mar-2016	487	10	9
flane.key	H A D	31-Mar-2016	28	2	1
flane.xyz	H A D	31-Mar-2016	541	10	9
form.key	H A D	31-Aug-2020	2 KiB	73	61
form.xyz	H A D	31-Mar-2016	1.5 KiB	26	25
formbig.key	H A D	31-Aug-2020	1.9 KiB	65	55
formbig.xyz	H A D	31-Mar-2016	54 KiB	866	865
formbox.dyn	H A D	31-Mar-2016	185.5 KiB	2,410	2,409
formbox.key	H A D	31-Mar-2016	234	10	8
formbox.xyz	H A D	31-Mar-2016	37.6 KiB	602	601
formopls.dyn	H A D	31-Mar-2016	185.5 KiB	2,410	2,409
formopls.key	H A D	31-Mar-2016	152	7	5
formopls.xyz	H A D	31-Mar-2016	37.6 KiB	602	601
furan.int	H A D	31-Mar-2016	634	14	12
furan.key	H A D	31-Mar-2016	190	8	6
furan.xyz	H A D	31-Mar-2016	674	12	11
glucose.key	H A D	31-Mar-2016	110	5	4
glucose.xyz	H A D	31-Mar-2016	1.6 KiB	26	25
glycerol.dyn	H A D	31-Mar-2016	138.6 KiB	1,802	1,801
glycerol.key	H A D	31-Mar-2016	78	5	4
glycerol.xyz	H A D	31-Mar-2016	28.6 KiB	450	449
graphite.key	H A D	31-Mar-2016	377	13	9
graphite.xyz	H A D	31-Mar-2016	162 KiB	2,306	2,305
helix.dyn	H A D	31-Mar-2016	10.1 KiB	136	135
helix.key	H A D	31-Mar-2016	161	8	6
helix.xyz	H A D	31-Mar-2016	7.8 KiB	122	121
heme.key	H A D	31-Mar-2016	41	3	2
heme.xyz	H A D	31-Mar-2016	4.8 KiB	75	74
hexane.int	H A D	31-Mar-2016	333	8	7
hexane.key	H A D	09-Feb-2017	207	7	4
hexane.xyz	H A D	31-Mar-2016	399	8	7
hexanes.dyn	H A D	31-Mar-2016	494.8 KiB	6,418	6,417
hexanes.key	H A D	31-Mar-2016	596	18	13
hexanes.xyz	H A D	31-Mar-2016	100.2 KiB	1,604	1,603
hippo.key	H A D	01-Apr-2021	36	2	1
hippo.xyz	H A D	24-Apr-2021	398	8	7
hipposmall.dyn	H A D	26-Apr-2021	200.3 KiB	2,602	2,601
hipposmall.key	H A D	25-Mar-2021	521	23	18
hipposmall.xyz	H A D	26-Apr-2021	39.4 KiB	651	650
iamoeba.key	H A D	05-Jul-2019	35	2	1
iamoeba.xyz	H A D	16-Oct-2020	400	8	7
iceII.key	H A D	27-Sep-2021	316	16	13
iceII.xyz	H A D	26-May-2019	261.7 KiB	4,323	4,322
iceIX.key	H A D	15-Mar-2021	349	17	14
iceIX.xyz	H A D	08-May-2019	139.6 KiB	2,307	2,306
iceIc.key	H A D	15-Mar-2021	316	16	13
iceIc.xyz	H A D	11-May-2019	93.1 KiB	1,539	1,538
iceIca.key	H A D	15-Mar-2021	316	16	13
iceIca.xyz	H A D	11-May-2019	93.1 KiB	1,539	1,538
iceIh.key	H A D	15-Mar-2021	316	16	13
iceIh.xyz	H A D	10-May-2019	139.6 KiB	2,307	2,306
iceVIII.key	H A D	15-Mar-2021	316	16	13
iceVIII.xyz	H A D	06-May-2019	209.4 KiB	3,459	3,458
iceXI.key	H A D	15-Mar-2021	349	17	14
iceXI.xyz	H A D	08-May-2019	65.5 KiB	1,083	1,082
iceXIII.key	H A D	15-Mar-2021	316	16	13
iceXIII.xyz	H A D	08-May-2019	137.4 KiB	2,271	2,270
iceXIV.key	H A D	15-Mar-2021	316	16	13
iceXIV.xyz	H A D	10-May-2019	117.8 KiB	1,947	1,946
iceXV.key	H A D	27-Sep-2021	316	16	13
iceXV.xyz	H A D	08-May-2019	116.4 KiB	1,923	1,922
imidazole.int	H A D	31-Mar-2016	638	14	12
imidazole.key	H A D	31-Mar-2016	406	12	9
imidazole.xyz	H A D	31-Mar-2016	678	12	11
imine.int	H A D	31-Mar-2016	338	8	7
imine.key	H A D	31-Mar-2016	60	4	3
imine.xyz	H A D	31-Mar-2016	404	8	7
indole.key	H A D	31-Mar-2016	36	2	1
indole.xyz	H A D	31-Mar-2016	1.1 KiB	18	17
lactam.key	H A D	31-Mar-2016	28	2	1
lactam.xyz	H A D	31-Mar-2016	1.6 KiB	27	26
linaclotide.key	H A D	22-Jul-2021	65	3	2
linaclotide.seq	H A D	04-Mar-2017	68	2	1
linaclotide.xyz	H A D	05-Mar-2017	11.7 KiB	181	180
lipid.key	H A D	31-Mar-2016	33	2	1
lipid.xyz	H A D	31-Mar-2016	8.6 KiB	136	135
lj38.key	H A D	31-Mar-2016	314	12	9
lj38.xyz	H A D	31-Mar-2016	2.5 KiB	40	39
melittin.key	H A D	02-Feb-2018	40	3	2
melittin.pdb	H A D	31-Mar-2016	42.3 KiB
melittin.seq	H A D	31-Mar-2016	128	3	2
melittin.xyz	H A D	31-Mar-2016	28.1 KiB	436	435
membrane.key	H A D	31-Mar-2016	199	15	11
membrane.xyz	H A D	31-Mar-2016	557.2 KiB	8,900	8,899
meohbox.key	H A D	31-Mar-2016	210	11	8
meohbox.xyz	H A D	31-Mar-2016	150.1 KiB	2,402	2,401
methane.int	H A D	31-Mar-2016	262	7	6
methane.key	H A D	31-Mar-2016	35	2	1
methane.xyz	H A D	31-Mar-2016	334	7	6
methanol.key	H A D	29-Jun-2018	142	6	5
methanol.xyz	H A D	31-Mar-2016	203	5	4
mgwater.key	H A D	31-Mar-2016	36	2	1
mgwater.xyz	H A D	31-Mar-2016	270	6	5
mm3.key	H A D	31-Mar-2016	32	2	1
mm3.xyz	H A D	31-Mar-2016	396	8	7
nacl.key	H A D	31-Mar-2016	451	23	16
nacl.xyz	H A D	31-Mar-2016	481	10	9
nada.key	H A D	31-Mar-2016	1.6 KiB	43	35
nada.xyz	H A D	31-Mar-2016	808	14	13
naphthalene.int	H A D	31-Mar-2016	1.2 KiB	23	21
naphthalene.key	H A D	31-Mar-2016	69	4	3
naphthalene.xyz	H A D	31-Mar-2016	1.2 KiB	20	19
naphthax.frac	H A D	31-Mar-2016	608	11	10
naphthax.key	H A D	31-Mar-2016	275	10	8
naphthax.xyz	H A D	31-Mar-2016	2.4 KiB	38	37
nitrate.key	H A D	21-Jul-2020	36	4	2
nitrate.prm	H A D	23-Jul-2020	2.8 KiB	88	74
nitrate.xyz	H A D	21-Jul-2020	272	6	5
nitrile.key	H A D	31-Mar-2016	36	2	1
nitrile.xyz	H A D	31-Mar-2016	405	8	7
nitrogen.dyn	H A D	31-Mar-2016	41.3 KiB	540	539
nitrogen.key	H A D	25-Jun-2018	272	12	9
nitrogen.xyz	H A D	31-Mar-2016	12.5 KiB	214	213
nma.int	H A D	31-Mar-2016	776	14	13
nma.key	H A D	31-Mar-2016	36	2	1
nma.xyz	H A D	31-Mar-2016	806	14	13
nmabox.dyn	H A D	31-Mar-2016	463.3 KiB	6,010	6,009
nmabox.key	H A D	31-Mar-2016	180	10	7
nmabox.xyz	H A D	31-Mar-2016	95.3 KiB	1,502	1,501
nmf.key	H A D	23-Jan-2021	132	5	4
nmf.xyz	H A D	31-Mar-2016	608	11	10
nstilbene.int	H A D	31-Mar-2016	1.8 KiB	31	29
nstilbene.key	H A D	31-Mar-2016	94	4	3
nstilbene.xyz	H A D	31-Mar-2016	1.7 KiB	28	27
octane.int	H A D	31-Mar-2016	1.7 KiB	28	27
octane.key	H A D	09-Feb-2017	34	3	2
octane.xyz	H A D	31-Mar-2016	1.7 KiB	28	27
octane2.int	H A D	31-Mar-2016	1.7 KiB	28	27
octane2.key	H A D	31-Mar-2016	28	2	1
octane2.xyz	H A D	31-Mar-2016	1.7 KiB	28	27
octene.dyn	H A D	31-Mar-2016	7.2 KiB	98	97
octene.key	H A D	31-Mar-2016	28	2	1
octene.xyz	H A D	31-Mar-2016	1.5 KiB	24	23
palmitate.int	H A D	31-Mar-2016	3.4 KiB	51	50
palmitate.key	H A D	31-Mar-2016	36	3	2
palmitate.xyz	H A D	31-Mar-2016	3.2 KiB	51	50
pentane.frac	H A D	31-Mar-2016	1 KiB	19	18
pentane.key	H A D	31-Mar-2016	162	7	5
pentane.xyz	H A D	31-Mar-2016	4.4 KiB	70	69
peptide.int	H A D	31-Mar-2016	23.1 KiB	337	335
peptide.key	H A D	02-Nov-2016	95	6	5
peptide.make	H A D	31-Mar-2016	437	25	23
peptide.pdb	H A D	31-Mar-2016	17.7 KiB
peptide.seq	H A D	31-Mar-2016	104	3	2
peptide.xyz	H A D	31-Mar-2016	21.3 KiB	330	329
phenanth.key	H A D	27-Oct-2020	134	6	4
phenanth.xyz	H A D	31-Mar-2016	2 KiB	32	31
photo.key	H A D	31-Mar-2016	107	8	6
photo.pdb	H A D	31-Mar-2016	716.7 KiB
photo.seq	H A D	31-Mar-2016	5.6 KiB	86	82
photo.xyz	H A D	31-Mar-2016	784.9 KiB	12,123	12,122
pol3.key	H A D	31-Mar-2016	1.6 KiB	45	35
pol3.xyz	H A D	31-Mar-2016	397	8	7
polyala.key	H A D	31-Mar-2016	32	2	1
polyala.xyz	H A D	31-Mar-2016	2.6 KiB	42	41
prism.key	H A D	31-Mar-2016	36	2	1
prism.xyz	H A D	31-Mar-2016	1.1 KiB	20	19
propane.key	H A D	31-Mar-2016	160	8	6
propane.ray	H A D	31-Mar-2016	2.8 KiB	46	45
propane.xyz	H A D	31-Mar-2016	2.8 KiB	46	45
propellane.int	H A D	31-Mar-2016	961	20	18
propellane.key	H A D	31-Mar-2016	141	6	5
propellane.xyz	H A D	31-Mar-2016	975	16	15
propyne.key	H A D	31-Mar-2016	105	4	3
propyne.xyz	H A D	31-Mar-2016	466	9	8
pyridine.int	H A D	31-Mar-2016	781	16	14
pyridine.key	H A D	31-Mar-2016	66	4	3
pyridine.xyz	H A D	31-Mar-2016	809	14	13
pyrrole.int	H A D	31-Mar-2016	636	14	12
pyrrole.key	H A D	31-Mar-2016	66	4	3
pyrrole.xyz	H A D	31-Mar-2016	676	12	11
retinoic.key	H A D	31-Mar-2016	235	7	4
retinoic.xyz	H A D	31-Mar-2016	3.2 KiB	52	51
ring.key	H A D	31-Mar-2016	36	2	1
ring.xyz	H A D	31-Mar-2016	1.1 KiB	20	19
skunk.key	H A D	31-Mar-2016	30	2	1
skunk.xyz	H A D	31-Mar-2016	1.1 KiB	18	17
spc.key	H A D	31-Mar-2016	974	29	21
spc.xyz	H A D	31-Mar-2016	396	8	7
sterol.key	H A D	31-Mar-2016	28	2	1
sterol.xyz	H A D	31-Mar-2016	4.9 KiB	76	75
styrene.int	H A D	31-Mar-2016	1 KiB	20	18
styrene.key	H A D	31-Mar-2016	67	3	2
styrene.xyz	H A D	31-Mar-2016	1 KiB	18	17
taxol.key	H A D	22-Feb-2021	31	2	1
taxol.xyz	H A D	02-Dec-2016	7.4 KiB	115	114
terphenyl.key	H A D	31-Mar-2016	88	3	2
terphenyl.xyz	H A D	31-Mar-2016	2.1 KiB	34	33
tfe.key	H A D	31-Mar-2016	32	2	1
tfe.xyz	H A D	31-Mar-2016	607	11	10
thiadiene.int	H A D	31-Mar-2016	644	14	12
thiadiene.key	H A D	31-Mar-2016	58	3	2
thiadiene.xyz	H A D	31-Mar-2016	684	12	11
thiophene.int	H A D	31-Mar-2016	566	13	11
thiophene.key	H A D	31-Mar-2016	60	3	2
thiophene.xyz	H A D	31-Mar-2016	612	11	10
thr.int	H A D	31-Mar-2016	1.7 KiB	28	27
thr.key	H A D	31-Mar-2016	35	3	2
thr.xyz	H A D	31-Mar-2016	1.7 KiB	28	27
tip3f.key	H A D	31-Mar-2016	1 KiB	28	21
tip3f.xyz	H A D	31-Mar-2016	398	8	7
tip3p.key	H A D	14-Sep-2020	987	29	21
tip3p.xyz	H A D	31-Mar-2016	398	8	7
tip4f.key	H A D	31-Mar-2016	1.2 KiB	32	25
tip4f.xyz	H A D	31-Mar-2016	530	10	9
tip4p.key	H A D	23-Aug-2021	1.9 KiB	49	41
tip4p.xyz	H A D	31-Mar-2016	530	10	9
tip4pbox.key	H A D	08-Jun-2020	479	14	11
tip4pbox.xyz	H A D	31-Mar-2016	246.1 KiB	4,002	4,001
tip5p.key	H A D	31-Mar-2016	1.2 KiB	35	27
tip5p.xyz	H A D	31-Mar-2016	662	12	11
toradol.key	H A D	08-Mar-2021	34	2	1
toradol.xyz	H A D	19-Apr-2018	2.1 KiB	34	33
trpcage.key	H A D	31-Mar-2016	41	3	2
trpcage.pdb	H A D	31-Mar-2016	24.8 KiB
trpcage.seq	H A D	31-Mar-2016	104	3	2
trpcage.xyz	H A D	31-Mar-2016	12.3 KiB	191	190
uamoeba.key	H A D	16-Oct-2020	35	2	1
uamoeba.xyz	H A D	16-Oct-2020	400	8	7
ubiquitin.key	H A D	31-Mar-2016	388	14	13
ubiquitin.pdb	H A D	31-Mar-2016	57.2 KiB
ubiquitin.seq	H A D	31-Mar-2016	376	7	6
ubiquitin.xyz	H A D	31-Mar-2016	594.5 KiB	9,739	9,738
ubiquitin2.key	H A D	31-Mar-2016	424	15	14
ubiquitin2.seq	H A D	31-Mar-2016	376	7	6
ubiquitin2.xyz	H A D	31-Mar-2016	594.5 KiB	9,739	9,738
urea.frac	H A D	31-Mar-2016	339	7	6
urea.key	H A D	31-Mar-2016	133	6	4
urea.xyz	H A D	31-Mar-2016	1 KiB	18	17
water.int	H A D	29-Jun-2018	116	5	4
water.key	H A D	11-Oct-2020	76	3	2
water.xyz	H A D	12-Apr-2020	200	5	4
waterball.key	H A D	27-Sep-2016	368	19	13
waterball.xyz	H A D	31-Mar-2016	528.8 KiB	8,735	8,734
waterbig.key	H A D	31-Mar-2016	848	26	22
waterbig.xyz	H A D	31-Mar-2016	290.7 KiB	4,802	4,801
waterbox.key	H A D	03-Mar-2021	893	29	24
waterbox.xyz	H A D	31-Mar-2016	90.9 KiB	1,502	1,501
waterdodec.key	H A D	04-Mar-2021	854	28	23
waterdodec.xyz	H A D	05-Mar-2021	64.4 KiB	1,065	1,064
waterdot.dyn	H A D	31-Mar-2016	338.3 KiB	4,390	4,389
waterdot.key	H A D	05-Jun-2018	911	27	23
waterdot.xyz	H A D	31-Mar-2016	66.4 KiB	1,097	1,096
waterglobe.key	H A D	31-Mar-2016	932	30	25
waterglobe.xyz	H A D	31-Mar-2016	1.1 MiB	19,202	19,201
waterhuge.key	H A D	03-Mar-2021	321	17	11
waterhuge.xyz	H A D	31-Mar-2016	726.6 KiB	12,002	12,001
waterslab.dyn	H A D	31-Mar-2016	474.4 KiB	6,154	6,153
waterslab.key	H A D	27-Sep-2016	319	14	11
waterslab.xyz	H A D	31-Mar-2016	93 KiB	1,538	1,537
watersmall.dyn	H A D	13-Mar-2019	200.3 KiB	2,602	2,601
watersmall.key	H A D	23-Apr-2021	627	27	22
watersmall.xyz	H A D	13-Mar-2019	39.3 KiB	650	649
watertiny.dyn	H A D	31-Mar-2016	12.9 KiB	172	171
watertiny.key	H A D	31-Mar-2016	860	27	22
watertiny.xyz	H A D	31-Mar-2016	5 KiB	83	82
white.int	H A D	31-Mar-2016	1.7 KiB	30	28
white.key	H A D	29-Apr-2021	28	2	1
white.xyz	H A D	27-May-2020	1.7 KiB	27	26