File types

File type Number of files Number of datasets Total size in GB
xtc 47,131 1,570 14,782
pdb 39,738 1,122 173
dat 39,094 502 68
itp 31,594 887 6
gro 31,025 1,588 176
none 27,823 486 1,033
xvg 23,686 194 213
mdp 19,009 1,286 0
tpr 18,263 1,294 62
txt 17,544 526 11
out 16,378 163 43
top 13,082 1,375 26
xyz 11,901 121 78
in 10,416 277 0
dcd 9,912 580 2,996
csv 9,292 143 26
log 9,125 503 93
edr 8,496 701 293
trr 7,611 214 1,564
hpp 7,483 2 nan
dx 7,031 20 4
py 6,905 344 0
rst7 6,538 82 13
tiff 6,218 3 0
cpt 5,461 525 14
zip 5,354 1,526 8,831
inp 5,268 235 1
prmtop 5,185 238 26
sh 5,005 298 0
gz 4,248 209 1,721
ndx 4,170 713 11
obj 4,003 2 0
ctl 3,539 2 0
psf 3,519 347 43
png 3,400 143 2
nc 3,267 99 572
str 3,171 111 1
npy 3,045 47 82
data 2,773 40 26
rst 2,695 66 8
crd 2,507 116 50
mol2 2,432 106 0
com 2,126 20 0
prm 2,123 168 0
xml 1,964 68 3
cor 1,871 5 10
json 1,835 47 13
cms 1,820 80 43
pdf 1,745 130 1
restrt 1,684 2 10
tdb 1,675 145 0
inpcrd 1,535 110 1
coor 1,380 32 3
tcl 1,320 87 0
xsc 1,308 32 0
rtp 1,249 170 1
hdb 1,215 166 0
txyz 1,167 2 0
r2b 1,148 146 0
h5 1,148 13 26
tif 1,135 17 40
lammps 1,100 20 1
h 1,097 16 0
dtr 1,087 40 0
vel 1,076 29 2
frcmod 1,037 121 0
cpp 1,027 21 0
conf 1,015 57 0
mdin 1,012 24 0
sim 998 1 1
traj 883 14 9
tsv 867 6 0
ipynb 856 112 1
npz 774 8 13
wrl 755 1 0
pmf 753 11 0
tgz 742 27 43
parm7 734 71 7
properties 729 1 nan
patch 729 4 0
arn 728 132 0
info 724 23 0
pl 683 22 0
r 677 20 0
output 623 7 1
map 616 23 1
yaml 606 160 0
svg 603 23 2
temp 547 25 0
ff 542 11 0
xlsx 535 82 0
pdbqt 512 13 0
old 500 11 0
errors 494 2 0
atp 479 179 0
lib 478 56 0
hist 474 4 0
err 459 22 0
rtf 452 67 0
grad 451 3 0
doc 444 157 0
mdcrd 433 16 37
extxyz 424 2 2
cfg 412 59 0
xst 410 10 0
z 399 2 0
pkl 394 20 7
1# 380 43 7
pse 372 36 9
cif 366 35 3
vsd 357 124 0
mat 347 7 1
md 345 127 0
wrk 339 2 0
pb 335 5 0
control 334 2 0
log_0 326 1 0
index 326 1 nan
data-00000-of-00001 326 1 nan
etot 325 13 0
volume 324 12 0
tsolvent 324 12 0
tsolute 324 12 0
pres 324 12 0
escf 324 12 0
eptot 324 12 0
ektot 324 12 0
ekcmt 324 12 0
density 323 12 0
par 322 35 0
html 322 11 0
pbs 318 15 0
sqlite 314 2 15
jpg 313 20 1
table 307 2 0
pqr 306 6 0
pickle 288 8 0
lnk 287 3 0
agr 286 23 0
slurm 280 17 0
mdf 279 6 nan
car 279 6 nan
prep 271 24 0
0 269 13 4
rat 260 1 0
pyc 259 29 0
mp4 257 40 10
pt 252 6 5
2 246 19 3
chk 239 25 2
spm 236 1 nan
3 229 17 11
css 226 5 0
vmd 225 38 0
tga 225 10 0
raw 224 4 0
config 220 3 0
50 217 2 0
sdf 216 20 12
sgy 215 1 47
mdout 214 4 0
00 214 2 0
eps 209 14 1
state 205 7 0
sp 204 1 0
1 204 17 3
viols 200 1 0
lamb_26 199 1 0
namd 198 30 0
restart 188 12 2
prm7 186 2 0
dump 185 6 0
ene 184 45 2
log_9 175 1 0
log_8 175 1 0
log_7 175 1 0
log_6 175 1 0
log_5 175 1 0
log_4 175 1 0
log_3 175 1 0
log_29 175 1 0
log_28 175 1 0
log_27 175 1 0
log_26 175 1 0
log_25 175 1 0
log_24 175 1 0
log_23 175 1 0
log_22 175 1 0
log_21 175 1 0
log_20 175 1 0
log_2 175 1 0
log_19 175 1 0
log_17 175 1 0
log_16 175 1 0
log_15 175 1 0
log_14 175 1 0
log_13 175 1 0
log_12 175 1 0
log_11 175 1 0
log_10 175 1 0
log_1 175 1 0
lamb_6 175 1 0
lamb_5 175 1 0
lamb_3 175 1 0
lamb_29 175 1 0
lamb_28 175 1 0
lamb_27 175 1 0
lamb_25 175 1 0
lamb_24 175 1 0
lamb_23 175 1 0
lamb_22 175 1 0
lamb_21 175 1 0
lamb_20 175 1 0
lamb_2 175 1 0
lamb_19 175 1 0
lamb_18 175 1 0
lamb_17 175 1 0
lamb_16 175 1 0
lamb_15 175 1 0
lamb_14 175 1 0
lamb_13 175 1 0
lamb_12 175 1 0
lamb_11 175 1 0
lamb_10 175 1 0
lamb_1 175 1 0
lamb_0 175 1 0
lamb_9 174 1 0
lamb_8 174 1 0
lamb_7 174 1 0
st 172 2 nan
doctree 172 1 nan
msj 171 36 0
arg 163 2 0
m 158 16 0
lmp 151 10 0
lamb_4 151 1 0
5 148 10 1
4 148 10 1
ac 144 11 0
wham 143 1 0
bin 143 4 0
dat2 141 1 nan
asc 140 3 0
tar 135 86 108
na 135 1 21
mop 135 2 0
mol 134 7 0
ini 132 13 0
res 129 7 0
mae 128 16 1
maegz 126 14 4
svn-base 125 1 0
xyz_2 121 2 nan
hem 120 13 0
restart2 119 1 0
restart1 119 1 0
dqs 118 1 0
count 115 4 0
tab 111 8 0
colvars 109 8 0
prepi 108 15 0
rest 107 6 0
fasta 105 20 0
ref 103 10 2
ipp 103 1 nan
2# 102 22 5
gas 101 1 0
bat 101 13 0
input 100 6 2
xls 99 9 2
cnf 99 3 2
fep 98 5 0
arc 98 4 1
ramaraw 97 1 4
ener 97 5 0
vis 94 1 nan
cmd 94 13 0
bash 94 11 0
leap 91 8 0
imd 91 2 0
sgd 90 1 nan
pptx 90 12 0
tpg 86 6 0
prepc 86 10 0
netcdf 86 1 2
aln 86 2 0
cpbr 84 1 0
10 82 7 1
xz 80 68 5
gbs 79 1 0
mod 78 3 0
mpg 76 13 2
awk 76 14 0
ac0 75 8 0
cu 74 3 0
am 74 18 0
20 74 4 0
lagrangemultlog 73 1 0
30 73 3 0
spl 72 2 nan
ark 72 2 nan
70 72 2 0
60 72 2 0
40 72 2 0
csh 71 7 0
xpm 70 9 1
dsv 70 5 4
90 70 1 0
80 70 1 0
stats 69 2 0
docx 69 42 0
clc 69 1 0
ptraj 65 2 0
js 64 4 0
gzmat 64 1 0
box 64 4 0
rar 62 9 19
bz2 62 8 81
f90 61 11 0
exe 61 5 0
cl 61 2 nan
pzfx 59 7 0
off 59 12 0
ased 59 4 0
a3m 59 7 0
lsf 58 2 nan
java 58 2 nan
run 57 4 0
col 57 5 0
dta 56 1 0
dsc 56 1 0
cns 54 3 0
avi 54 4 3
setup 53 3 0
in~ 53 4 0
seed 52 3 0
pressure 52 3 0
gau 52 2 0
af 52 1 0
7z 52 7 34
min 51 6 1
trajin 50 2 0
jsf 50 1 5
gif 50 13 0
fastq 50 1 8
chimerax 50 5 nan
7 50 9 1
kv 49 1 0
gjf 47 6 0
partitions 46 3 0
parmtop 46 2 0
key 46 10 0
sassena 45 1 0
init 45 3 0
inf 45 10 0
yml 44 24 0
sbatch 44 1 0
protocol 44 4 0
mdinfo 44 5 0
dihe 44 5 0
3# 44 14 0
nmr 43 1 nan
sunwcch 42 1 nan
control~ 41 2 0
toml 40 4 0
jsonl 39 1 0
histo 39 3 0
700 39 1 0
500 39 1 0
spw 38 1 17
indx 38 1 1
alloy 38 1 0
rnk 37 2 0
job 37 3 0
ygf 36 1 0
nciplot 36 2 0
jpk 36 1 0
cell 36 3 0
c 36 7 0
array 36 3 0
999 36 3 0
rds 35 1 1
engrad 35 3 0
eaf 35 10 0
100 35 1 0
000 35 2 0
tmp 34 9 0
spe 34 1 nan
900 34 1 0
800 34 1 0
300 34 1 0
pth 33 3 5
mrc 33 5 1
db 33 15 1
cpptraj 33 6 0
bmp 33 7 0
frc 32 8 0
fchk 32 6 12
bak 32 12 0
400 32 1 0
200 32 1 0
x 31 8 4
slrm 31 4 0
fluct 31 2 nan
rpr 30 2 0
qti 30 1 0
por 30 2 0
pao 30 1 nan
nvt 30 3 0
600 30 1 0
6 30 8 1
param 29 1 0
lammpstrj 29 5 0
kptaux 29 1 0
f 29 10 0
seq 28 6 0
rmsd 28 2 nan
list 28 11 0
gnu 28 5 0
dlg 28 4 0
ssd 27 2 0
jobs 27 2 0
htm 27 4 0
bibtex 27 7 0
4# 27 9 0
outsim 26 1 0
listsim 26 1 0
i 26 3 nan
eq 26 2 0
cdx 26 2 nan
050 26 2 0
settings 25 2 0
grd 25 7 0
coord 25 3 0
950 25 1 0
850 25 1 0
750 25 1 0
650 25 1 0
550 25 1 0
450 25 1 0
350 25 1 0
250 25 1 0
150 25 1 0
rxna 24 1 0
log_18 24 1 0
lammps05 24 1 nan
itp~ 24 12 0
cxs 24 4 1
prop 23 4 0
lag 23 1 0
ibw 23 1 0
gbw 23 3 0
bib 23 4 0
qwrk 22 1 0
lwrk 22 1 0
jws 22 1 0
graph 22 1 0
ftree 22 1 0
class 22 1 nan
best 22 2 0
ps 21 5 0
ou 21 2 0
jpeg 21 5 0
titles 20 1 0
ser 20 1 0
rpt 20 1 0
pyx 20 1 nan
pxi 20 1 nan
ids 20 1 0
bed 20 1 0
act 20 1 0
trj 19 5 4
tip4p 19 2 0
prepin 19 3 0
php 19 2 0
esp 19 3 0
castep_bin 19 1 0
castep 19 1 0
opju 18 2 0
ions 18 1 nan
data_edited 18 1 nan
b 18 4 0
ppm 17 3 0
pot 17 5 0
params 17 2 0
mcm 17 1 nan
lst 17 4 0
lock 17 1 0
jobscript 17 1 0
idx 17 3 0
hdf5 17 3 7
gamma 17 2 0
pgw 16 1 0
ods 16 8 0
model 16 1 0
fig 16 1 0
dyn 16 2 nan
cvs 16 1 nan
bayes 16 1 0
5# 16 5 0
tmpl 15 4 0
stat 15 1 nan
mkv 15 1 0
m8 15 4 0
file 15 3 0
cite 15 4 0
bop 15 1 0
bak-1 15 2 0
9 15 7 1
620 15 1 0
6# 15 4 0
360 15 2 0
xsd 14 1 0
sto 14 1 0
py~ 14 4 0
pfr 14 1 0
pbp 14 2 nan
mulliken 14 3 2
moe 14 2 0
lie 14 1 nan
fp 14 1 0
fa 14 2 0
crg 14 3 0
cmap 14 6 0
940 14 1 0
8 14 6 1
smi 13 5 1
precomp 13 3 0
pml 13 8 0
oldpsf 13 7 0
odb 13 1 1
mmxsa 13 4 1
meam 13 1 0
xms 12 1 0
trg 12 1 0
sum 12 1 0
sd 12 2 0
rg 12 1 0
nmd 12 2 0
mapping 12 1 0
gdr 12 1 0
ffml 12 2 0
cst_esp 12 1 0
cmake 12 3 0
bands 12 1 0
920 12 1 0
860 12 1 0
760 12 1 0
440 12 1 0
420 12 1 0
180 12 1 0
xcd 11 1 0
stress 11 2 0
plt 11 4 0
pdw 11 1 0
out_popctail1 11 1 0
omd 11 1 0
molden 11 1 1
ic 11 2 0
gsd 11 1 0
energy 11 2 0
ds_pl 11 2 0
adp 11 1 0
880 11 1 0
840 11 1 0
680 11 1 0
640 11 1 0
520 11 1 0
460 11 1 0
380 11 1 0
320 11 1 0
260 11 1 0
22000000 11 1 nan
140 11 1 0
080 11 1 0
trjaux 10 1 0
seed_log 10 2 0
rules 10 3 nan
rrd 10 1 0
phonon 10 1 0
meta 10 2 0
lig 10 1 0
jnb 10 1 0
itp-n 10 1 0
in-velocityrescaling 10 1 nan
in-berendsen 10 1 nan
hbond 10 2 0
g96 10 3 0
diff_coeff 10 1 0
dat0 10 1 1
cosmo 10 1 0
connectregion02 10 1 0
chg 10 2 nan
cad 10 1 0
b-o-ni 10 1 0
amd 10 1 nan
998 10 3 0
820 10 1 0
740 10 1 0
560 10 1 0
540 10 1 0
280 10 1 0
240 10 1 0
160 10 1 0
14 10 4 1
13 10 4 1
ts 9 1 1
tpc 9 3 nan
removecom 9 1 nan
qeq 9 2 0
pr_xml 9 1 0
pdb~ 9 2 0
opj 9 2 0
nve 9 1 nan
n2t 9 7 0
mrk 9 2 0
juj 9 1 2
jld 9 1 nan
ionshorinekjcp2009set5_spce 9 1 nan
groupfile 9 2 nan
gpf 9 5 0
glg 9 4 0
fld 9 4 0
equil 9 1 nan
connectunc_low06 9 1 0
connectunc_low05 9 1 0
connectunc_low04 9 1 0
connectunc_low03 9 1 0
connectunc_low02 9 1 0
connectunc_low01 9 1 0
connectregion07 9 1 0
connectregion06 9 1 0
connectregion05 9 1 0
connectregion04 9 1 0
connectregion03 9 1 0
connectregion01 9 1 0
connect 9 1 0
allow 9 1 0
addmin 9 1 0
a 9 1 0
980 9 1 0
780 9 1 0
720 9 1 0
660 9 1 0
15 9 3 1
12 9 3 1
11 9 3 1
060 9 1 0
valid 8 1 0
simple 8 1 nan
script 8 1 0
pxp 8 1 0
parm 8 1 nan
orig 8 4 0
opt 8 2 0
num_key 8 1 0
msv 8 1 0
metadynlog 8 1 0
lt 8 1 0
his 8 1 0
gpickle 8 3 0
fix 8 1 0
drrstate 8 1 0
dms 8 3 0
colvar_ad_cluster 8 1 0
cnt 8 1 nan
580 8 1 0
340 8 1 0
120 8 1 0
040 8 1 0
sot 7 1 nan
siz 7 2 nan
rtp~ 7 4 0
qti~ 7 1 0
pnl 7 2 0
pf 7 1 0
op 7 1 nan
mtb 7 2 0
icb 7 1 nan
gwy 7 2 0
got 7 1 nan
gin 7 1 nan
filepart 7 3 0
fdf 7 1 nan
dxtc 7 2 nan
colvar_bcag_ct_score_b_dimer 7 1 0
colvar_bcag_ct_score_a_dimer 7 1 0
check 7 1 1
cdxml 7 1 nan
ali 7 2 0
7# 7 3 0
110000000 7 1 nan
xy 6 1 0
template 6 2 nan
templ 6 1 0
spotd2 6 1 0
span 6 1 0
slr 6 1 nan
sh~ 6 3 0
sce 6 1 nan
rg3 6 1 0
rg2 6 1 0
r0 6 2 0
prp 6 1 nan
pir 6 2 0
pc 6 1 nan
original 6 2 0
o 6 2 0
nb 6 2 0
mdp~ 6 2 0
md5 6 1 0
ions1lm_1264_spce 6 2 nan
int 6 2 0
img 6 5 0
history 6 5 0
gmt 6 1 0
final 6 1 0
face 6 3 0
energies 6 2 0
doc~ 6 6 0
densitiesinfo 6 2 0
densities 6 2 0
czi 6 1 0
cpcm_corr 6 2 0
bk 6 3 0
bak-3 6 2 0
bak-2 6 2 0
997 6 3 0
480 6 1 0
220 6 1 0
020 6 1 0
xvv 5 2 0
xtd 5 1 0
xbgf 5 2 0
wfn 5 2 0
weights 5 1 0
tbl 5 4 0
stp 5 1 0
stl 5 1 nan
pka 5 1 0
pgn 5 2 0
p 5 1 nan
onetep 5 1 nan
mmpbsa 5 2 nan
mem 5 1 0
lud 5 1 0
led 5 1 0
jl 5 3 nan
gmtcommands4 5 1 0
geom 5 1 0
gaff 5 2 nan
ft2 5 1 0
fbi 5 1 nan
cxx 5 2 nan
conf~ 5 1 0
api 5 1 nan
960 5 1 0
5m 5 1 0
zmat 4 1 0
xray 4 1 0
wfx 4 1 nan
water_ions 4 1 0
wat 4 1 0
trp 4 1 0
tree 4 1 0
torsion2 4 1 0
torsion1 4 1 0
tgt 4 2 0
swp 4 1 0
sln 4 1 nan
sites 4 2 nan
set 4 2 0
restraint 4 2 0
profile 4 1 nan
prmcrd 4 2 0
pp 4 1 0
plot 4 1 0
pick 4 1 0
phmdp 4 2 nan
odata 4 1 nan
oct 4 1 0
nonbonded_wat_ions 4 1 0
nh 4 1 0
mmol 4 1 nan
me 4 3 0
log-500 4 1 nan
log-4000 4 1 nan
log-2000 4 1 nan
log-1000 4 1 nan
kdx 4 1 0
jpred 4 1 0
incrd 4 1 0
inc 4 2 nan
in# 4 1 0
gscore 4 1 nan
gp 4 1 0
gitkeep 4 1 0
frq 4 1 nan
fit 4 1 0
ffindex 4 1 0
ffdata 4 1 0
fepout 4 1 nan
dtd 4 3 nan
dpf 4 2 0
doub 4 1 nan
dcorr 4 2 0
d12 4 1 nan
cps 4 1 0
cpin 4 1 nan
cpcm 4 1 nan
cluster 4 1 0
casscf 4 1 0
bu 4 1 nan
bss 4 1 nan
bond 4 1 0
bashrc 4 1 0
ascii 4 2 0
996 4 2 0
995 4 2 0
994 4 2 0
993 4 2 0
90000 4 3 0
80000 4 3 0
70000 4 3 0
60000 4 3 0
50000 4 3 0
40000 4 3 0
4-linux-amd64 4 2 0
30000 4 3 0
20000 4 3 0
100000 4 3 0
10000 4 3 0
webm 3 1 nan
vxyz 3 1 nan
vert 3 2 0
vcproj 3 1 nan
variables 3 1 0
var-zewdie-h4 3 1 0
var-zewdie 3 1 0
var-gauss 3 1 0
v99990050 3 1 0
v99990049 3 1 0
v99990048 3 1 0
v99990047 3 1 0
v99990046 3 1 0
v99990045 3 1 0
v99990044 3 1 0
v99990043 3 1 0
v99990042 3 1 0
v99990041 3 1 0
v99990040 3 1 0
v99990039 3 1 0
v99990038 3 1 0
v99990037 3 1 0
v99990036 3 1 0
v99990035 3 1 0
v99990034 3 1 0
v99990033 3 1 0
v99990032 3 1 0
v99990031 3 1 0
v99990030 3 1 0
v99990029 3 1 0
v99990028 3 1 0
v99990027 3 1 0
v99990026 3 1 0
v99990025 3 1 0
v99990024 3 1 0
v99990023 3 1 0
v99990022 3 1 0
v99990021 3 1 0
v99990020 3 1 0
v99990019 3 1 0
v99990018 3 1 0
v99990017 3 1 0
v99990016 3 1 0
v99990015 3 1 0
v99990014 3 1 0
v99990013 3 1 0
v99990012 3 1 0
v99990011 3 1 0
v99990010 3 1 0
v99990009 3 1 0
v99990008 3 1 0
v99990007 3 1 0
v99990006 3 1 0
v99990005 3 1 0
v99990004 3 1 0
v99990003 3 1 0
v99990002 3 1 0
v99990001 3 1 0
tst 3 2 nan
tpl 3 2 nan
topo 3 1 0
tml 3 1 0
tex 3 3 0
so 3 2 nan
sch 3 1 0
rsr 3 1 0
rmsfit 3 1 0
pyr 3 2 0
pxd 3 1 nan
pk 3 1 nan
phosaa10 3 2 nan
pax1 3 1 0
para 3 2 0
org 3 1 0
on 3 1 0
o6427 3 1 0
m2p 3 2 nan
lh 3 1 0
jinja2 3 1 nan
inv 3 2 nan
iml 3 2 0
ifp 3 2 0
gpi 3 1 0
fxml 3 1 0
dev 3 2 nan
d00000050 3 1 0
d00000049 3 1 0
d00000048 3 1 0
d00000047 3 1 0
d00000046 3 1 0
d00000045 3 1 0
d00000044 3 1 0
d00000043 3 1 0
d00000042 3 1 0
d00000041 3 1 0
d00000040 3 1 0
d00000039 3 1 0
d00000038 3 1 0
d00000037 3 1 0
d00000036 3 1 0
d00000035 3 1 0
d00000034 3 1 0
d00000033 3 1 0
d00000032 3 1 0
d00000031 3 1 0
d00000030 3 1 0
d00000029 3 1 0
d00000028 3 1 0
d00000027 3 1 0
d00000026 3 1 0
d00000025 3 1 0
d00000024 3 1 0
d00000023 3 1 0
d00000022 3 1 0
d00000021 3 1 0
d00000020 3 1 0
d00000019 3 1 0
d00000018 3 1 0
d00000017 3 1 0
d00000016 3 1 0
d00000015 3 1 0
d00000014 3 1 0
d00000013 3 1 0
d00000012 3 1 0
d00000011 3 1 0
d00000010 3 1 0
d00000009 3 1 0
d00000008 3 1 0
d00000007 3 1 0
d00000006 3 1 0
d00000005 3 1 0
d00000004 3 1 0
d00000003 3 1 0
d00000002 3 1 0
d00000001 3 1 0
cyr 3 2 0
cmp 3 1 0
cdf 3 1 0
cart 3 2 nan
axd 3 1 3
atoms 3 3 0
ase 3 1 0
args 3 1 0
aniso 3 1 nan
8# 3 2 0
500000 3 2 0
490000 3 2 0
480000 3 2 0
470000 3 2 0
460000 3 2 0
450000 3 2 0
440000 3 2 0
430000 3 2 0
420000 3 2 0
410000 3 2 0
400000 3 2 0
390000 3 2 0
380000 3 2 0
370000 3 2 0
36bundle 3 1 0
360000 3 2 0
350000 3 2 0
340000 3 2 0
330000 3 2 0
320000 3 2 0
310000 3 2 0
31 3 2 0
300000 3 2 0
290000 3 2 0
29 3 2 0
280000 3 2 0
28 3 2 0
270000 3 2 0
27 3 2 0
260000 3 2 0
26 3 2 0
250000 3 2 0
25 3 2 0
240000 3 2 0
24 3 2 0
230000 3 2 0
23 3 2 0
220000 3 2 0
22 3 2 0
210000 3 2 0
21 3 2 0
200000 3 2 0
190000 3 2 0
19 3 2 0
180000 3 2 0
18 3 2 0
170000 3 2 0
17 3 2 0
160000 3 2 0
16 3 2 0
150000 3 2 0
140000 3 2 0
130000 3 2 0
120000 3 2 0
110000 3 2 0
0_0-100ns_replica3 3 1 0
xyzrn 2 1 0
xyzrg 2 1 0
xyzr 2 2 0
xye 2 1 nan
xvgt 2 1 0
xtl 2 1 0
xmol 2 1 nan
xleap 2 1 0
xfpchromophores 2 1 nan
wdist 2 1 0
wat_parm7 2 1 0
walls 2 1 nan
vasp 2 2 0
v1 2 2 0
unfold 2 1 0
u 2 1 0
type 2 2 0
txt~ 2 2 nan
tre 2 1 0
top_backup 2 1 0
tip4pew 2 1 nan
tip3p 2 1 nan
time 2 1 0
sts 2 1 0
str~ 2 1 0
ssv 2 1 nan
spceb 2 1 nan
spce 2 1 nan
shaw 2 1 nan
scr 2 1 0
sassena_000000 2 1 0
sander 2 1 0
runxxx 2 1 0
run_multi 2 1 0
rot 2 1 0
ris 2 1 0
rg5 2 1 0
rg4 2 1 0
resp 2 1 0
ref0 2 1 nan
recpot 2 1 0
reaxc 2 1 nan
rad2 2 1 nan
rad1 2 1 nan
r1 2 1 nan
qsub 2 2 0
qcout 2 1 nan
ponorb 2 1 nan
phypo 2 1 0
phosfb18 2 1 nan
phos 2 2 0
pgn~ 2 1 0
pg-cs-nb3b 2 1 nan
pdb_configurational 2 1 0
pch 2 1 nan
pbg 2 1 nan
out3 2 1 nan
osc_length4 2 1 0
osc_force4 2 1 0
opc 2 1 nan
ol15 2 1 nan
okay 2 2 0
o6448 2 1 0
o6446 2 1 0
o6445 2 1 0
o6444 2 1 0
o6441 2 1 0
o6440 2 1 0
o6436 2 1 0
o6433 2 1 0
o6432 2 1 0
o6430 2 1 0
o6428 2 1 0
o2988593 2 1 0
o2988414 2 1 0
npt06 2 1 0
npt 2 2 0
nonbonded 2 1 0
ncrst 2 2 nan
m~ 2 1 0
mtp 2 2 nan
mpeg 2 1 1
mov 2 1 0
modified 2 1 nan
modes 2 1 nan
mdrestart 2 1 nan
mcr 2 1 0
mapi 2 1 0
map# 2 1 0
log3 2 1 nan
log-6000 2 1 nan
lmp_restart 2 1 0
ldp 2 2 nan
ld 2 1 nan
ind 2 1 nan
hst 2 1 0
hkl 2 1 nan
head 2 1 nan
harmonic 2 1 nan
gsvdfr 2 1 0
glr 2 1 nan
g 2 1 0
fs 2 1 0
fingerprint 2 1 nan
ffa99sbdisp 2 1 nan
ff99sbxildnq 2 1 nan
ff99sbxildn 2 1 nan
ff14sb 2 1 nan
ff03ua 2 1 nan
fb15 2 1 nan
est 2 1 nan
epot 2 1 nan
ekin 2 1 nan
efield 2 1 0
edi 2 1 0
eam 2 1 0
e2988593 2 1 0
e2988414 2 1 0
cv2 2 1 0
cv12 2 1 0
cv1 2 1 0
csb 2 1 0
cpi 2 1 0
constph 2 1 nan
colvar_psi 2 1 0
colvar_phi 2 1 0
cmakein 2 1 nan
clustal_num 2 2 0
class1 2 1 nan
chm 2 2 0
cgin 2 1 0
bsrf 2 1 nan
br 2 1 0
bb 2 1 0
allxyz 2 1 0
adf 2 1 nan
9# 2 1 0
810000 2 1 nan
800000 2 1 nan
790000 2 1 nan
79 2 1 0
780000 2 1 nan
78 2 1 0
770000 2 1 nan
77 2 1 0
760000 2 1 nan
76 2 1 0
750000 2 1 nan
75 2 1 0
740000 2 1 nan
74 2 1 0
730000 2 1 nan
73 2 1 0
720000 2 1 nan
72 2 1 0
710000 2 1 nan
71 2 1 0
700000 2 1 nan
690000 2 1 nan
69 2 1 0
680000 2 1 nan
68 2 1 0
670000 2 1 nan
67 2 1 0
660000 2 1 nan
66 2 1 0
650000 2 1 nan
65 2 1 0
640000 2 1 nan
64 2 1 0
630000 2 1 nan
63 2 1 0
620000 2 1 nan
62 2 1 0
610000 2 1 nan
61 2 1 0
600000 2 1 nan
590000 2 1 nan
59 2 1 0
580000 2 1 nan
58 2 1 0
570000 2 1 nan
57 2 1 0
560000 2 1 nan
56 2 1 0
550000 2 1 nan
55 2 1 0
540000 2 1 nan
54 2 1 0
530000 2 1 nan
53 2 1 0
520000 2 1 nan
52 2 1 0
510000 2 1 nan
51 2 1 0
49 2 1 0
48 2 1 0
4761022 2 1 0
4760235 2 1 0
4758953 2 1 0
4758219 2 1 0
4748176 2 1 0
4746114 2 1 0
4746105 2 1 0
4745319 2 1 0
4745298 2 1 0
47 2 1 0
46 2 1 0
45 2 1 0
44 2 1 0
43 2 1 0
42 2 1 0
41 2 1 0
3951270 2 1 0
3941817 2 1 0
3934747 2 1 0
3917909 2 1 0
39 2 1 0
3858645 2 1 0
38 2 1 0
37 2 1 0
36 2 1 0
35 2 1 0
34 2 1 0
33 2 1 0
32 2 1 0
0_0-100ns_replica2 2 1 0
058 2 1 nan
025 2 1 nan
00,090,360,090 2 1 0
00,090,360,085 2 1 0
00,090,360,060 2 1 0
00,090,360,055 2 1 0
00,090,360,045 2 1 0
00,090,360,035 2 1 0
00,090,360,030 2 1 0
00,090,360,025 2 1 0
00,090,360,020 2 1 0
00,090,360,015 2 1 0
00,090,360,010 2 1 0
00,090,360,005 2 1 0
00,090,350,090 2 1 0
00,090,350,085 2 1 0
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00,090,350,055 2 1 0
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00,090,350,040 2 1 0
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00,090,350,025 2 1 0
00,090,350,020 2 1 0
00,090,350,015 2 1 0
00,090,350,005 2 1 0
00,090,340,085 2 1 0
00,090,340,075 2 1 0
00,090,340,070 2 1 0
00,090,340,065 2 1 0
00,090,340,055 2 1 0
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00,090,340,040 2 1 0
00,090,340,035 2 1 0
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00,090,340,000 2 1 0
00,090,330,080 2 1 0
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00,090,330,040 2 1 0
00,090,330,025 2 1 0
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00,090,320,090 2 1 0
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00,090,310,090 2 1 0
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00,090,270,090 2 1 0
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00,090,040,010 2 1 0
00,090,030,090 2 1 0
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00,090,030,000 2 1 0
00,090,020,090 2 1 0
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00,090,000,045 2 1 0
00,090,000,035 2 1 0
00,090,000,030 2 1 0
00,090,000,020 2 1 0
00,090,000,005 2 1 0
zcount 1 1 nan
zaa99sb 1 1 0
yil 1 1 nan
y 1 1 nan
x~ 1 1 nan
xtbrestart 1 1 0
xsc~ 1 1 0
xpsf 1 1 nan
xlsm 1 1 0
wz-aln 1 1 nan
wlnet 1 1 0
wc 1 1 nan
w 1 1 0
vpsf 1 1 nan
views 1 1 nan
vfproj 1 1 nan
version 1 1 0
vdwall 1 1 nan
urea 1 1 nan
up1_m 1 1 0
umbrellasampling 1 1 nan
txt# 1 1 0
tu3 1 1 0
tmp9 1 1 0
tmp8 1 1 0
tmp7 1 1 0
tmp6 1 1 0
tmp5 1 1 0
tmp4 1 1 0
tmp3 1 1 0
tmp2 1 1 0
tmp10 1 1 0
tmp1 1 1 0
tip5p 1 1 nan
tip4pfb 1 1 nan
tip3pfb 1 1 nan
tip3pf 1 1 nan
tgt_example 1 1 0
tgn 1 1 0
tg3 1 1 0
tg2 1 1 0
tg1 1 1 0
test 1 1 0
tersoff 1 1 nan
tcl~ 1 1 0
sw 1 1 nan
sty 1 1 nan
stream 1 1 0
start 1 1 nan
star 1 1 0
spcfw 1 1 nan
spath 1 1 0
soln 1 1 0
smiles 1 1 nan
siz~ 1 1 nan
simg 1 1 nan
shorttrajectory 1 1 nan
shawparm10 1 1 nan
sh# 1 1 0
sge 1 1 nan
seqno 1 1 nan
sed 1 1 0
sbt 1 1 0
sbma 1 1 nan
sb 1 1 nan
save 1 1 nan
run_unbiased 1 1 0
run9 1 1 0
run8 1 1 0
run7 1 1 0
run63 1 1 0
run62 1 1 0
run61 1 1 0
run60 1 1 0
run6 1 1 0
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run39 1 1 0
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run34 1 1 0
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run22 1 1 0
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run19 1 1 0
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run17 1 1 0
run16 1 1 0
run15 1 1 0
run14 1 1 0
run13 1 1 0
run12 1 1 0
run11 1 1 0
run10 1 1 0
run1 1 1 0
run0 1 1 0
rtf~ 1 1 nan
rs-aln 1 1 nan
roc-rna_const 1 1 nan
roc-rna 1 1 nan
roc 1 1 nan
rna 1 1 nan
resources 1 1 nan
rept 1 1 0
remodel 1 1 0
refs 1 1 0
redq 1 1 nan
readme 1 1 nan
reac 1 1 nan
rdf 1 1 nan
qzip 1 1 0
qspcfw 1 1 nan
qpos 1 1 0
qm 1 1 0
pzip 1 1 0
pymol 1 1 nan
py_dictionary 1 1 0
pun 1 1 0
ptc 1 1 0
psw 1 1 nan
protonated_nucleic 1 1 nan
proc 1 1 0
prmtop_trans 1 1 nan
prmtop_single_ligand 1 1 nan
prmtop_cis 1 1 nan
prism 1 1 0
pre 1 1 nan
pov 1 1 0
pot0 1 1 0
pol3 1 1 nan
po42502 1 1 0
po42501 1 1 0
po42500 1 1 0
po42499 1 1 0
po42490 1 1 0
po1061909 1 1 0
po 1 1 nan
plx 1 1 0
plo 1 1 0
pir~ 1 1 0
phmdp~ 1 1 nan
phmdin 1 1 0
pfi 1 1 0
pegmea 1 1 nan
pega 1 1 nan
pe1061909 1 1 0
pdbx 1 1 nan
pdb_out 1 1 nan
pdb_forced 1 1 nan
pdb1 1 1 0
pdb# 1 1 0
parmchi_yil 1 1 nan
parmbsc1 1 1 nan
parmbsc0_ezol1 1 1 nan
parmbsc0 1 1 nan
parm10 1 1 nan
parm-2d-all-dl-03-02-2cos 1 1 nan
output_jul-07-2021-17-18 1 1 0
output_jul-07-2021-16-57 1 1 0
output_jul-02-2021-16-14 1 1 0
output_jan-31-2022-17-42 1 1 0
out2 1 1 0
original2 1 1 nan
orb 1 1 nan
optimization 1 1 nan
opc3 1 1 nan
ol3 1 1 nan
odt 1 1 nan
o9040698 1 1 0
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o9040629 1 1 0
o9038981 1 1 0
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o6447 1 1 0
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o6437 1 1 0
o6435 1 1 0
o6434 1 1 0
o6431 1 1 0
o4758218 1 1 0
o4748160 1 1 0
o4323277 1 1 nan
o4323264 1 1 nan
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o42502 1 1 0
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o42500 1 1 0
o42499 1 1 0
o42490 1 1 0
o365928 1 1 0
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o360419 1 1 0
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o356294 1 1 0
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o356081 1 1 0
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o2990473 1 1 0
o2963530 1 1 0
o2514871 1 1 0
o1706729 1 1 nan
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o1701634 1 1 nan
o1061909 1 1 0
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o10282419 1 1 0
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o10020878 1 1 0
o10020876 1 1 0
o10016520 1 1 0
o10016509 1 1 0
o10007777 1 1 0
nvt02 1 1 0
np 1 1 0
nma 1 1 nan
ni 1 1 0
new 1 1 0
mtsx 1 1 0
mrcs 1 1 26
mr 1 1 0
mplstyle 1 1 0
mod~ 1 1 0
modrna08 1 1 nan
mna_jr23 1 1 nan
mk_ds 1 1 0
meoh 1 1 nan
mecn 1 1 nan
md~ 1 1 0
md# 1 1 0
mas 1 1 0
mapbead 1 1 nan
log-bck 1 1 0
lipid17 1 1 nan
lipid14 1 1 nan
lib_bak 1 1 nan
lgfname 1 1 0
lff 1 1 0
lesser 1 1 0
lcbop 1 1 0
lammps_fit9 1 1 0
lammps_fit8 1 1 0
lammps_fit7 1 1 0
lammps_fit63 1 1 0
lammps_fit62 1 1 0
lammps_fit61 1 1 0
lammps_fit60 1 1 0
lammps_fit6 1 1 0
lammps_fit59 1 1 0
lammps_fit58 1 1 0
lammps_fit57 1 1 0
lammps_fit56 1 1 0
lammps_fit55 1 1 0
lammps_fit54 1 1 0
lammps_fit53 1 1 0
lammps_fit52 1 1 0
lammps_fit51 1 1 0
lammps_fit50 1 1 0
lammps_fit5 1 1 0
lammps_fit49 1 1 0
lammps_fit48 1 1 0
lammps_fit47 1 1 0
lammps_fit46 1 1 0
lammps_fit45 1 1 0
lammps_fit44 1 1 0
lammps_fit43 1 1 0
lammps_fit42 1 1 0
lammps_fit41 1 1 0
lammps_fit40 1 1 0
lammps_fit4 1 1 0
lammps_fit39 1 1 0
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