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Check for large energy at first step
2017-12-05
Magnus Lun
d
bor
g
S
IMD acceler
a
ted
Urey-Brad
l
ey
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tree
2017-11-18
M
agn
u
s L
u
n
dborg
Add
e
d Magnus Lu
n
dborg as cont
r
i
b
u
tor i
n
t
h
e
m
a
n
ual
.
Added
Magnus Lundborg
as contributor in the manual.
commit
|
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tree
2017-11-08
M
agnus
L
undb
o
rg
Update to TNG v
1
.
8
.
1
commit
|
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tree
2017-10-13
Magn
u
s L
u
ndborg
Do n
o
t
include head
e
r
s related t
o
Observable
s
History
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|
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tree
2017-10-03
M
agnus Lundb
o
rg
W
r
i
te at
o
m
m
ass
e
s
a
nd partial
c
harges to TNG
commit
|
commitdiff
|
tree
2017-06-11
Ma
g
n
u
s Lundb
o
rg
Updated TNG to version 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Magn
u
s Lundborg
W
r
ite fo
r
ces and
v
elocitie
s
to compr
e
s
s
ed
T
NG
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus Lundb
o
rg
Fixed t
y
pos in output
.
commit
|
commitdiff
|
tree
2015-11-25
Magnus Lundb
o
rg
Use local variables
in
s
tead of thos
e
in *ir
.
commit
|
commitdiff
|
tree
2015-06-24
Magnus Lund
b
org
Update header w
h
en app
e
nding to T
N
G
file
.
commit
|
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|
tree
2015-06-12
Magnus Lundborg
TN
G
version
1
.
7
.
6
commit
|
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|
tree
2015-05-16
Magnus Lundborg
TNG version 1
.
7
.
5
commit
|
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tree
2015-04-21
Magnus
L
undborg
T
NG
v
e
rsion 1
.
7
.
3
commit
|
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|
tree
2014-11-24
Magnus
L
undborg
When writing
TNG t
h
e input must
contain
m
olecu
l
e dat
a
.
commit
|
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|
tree
2014-09-02
Magnus L
u
n
d
borg
TNG Fix for
GMX_DOUBLE bu
i
lds
a
nd
where
ZLI
B
is no
t
.
.
.
commit
|
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|
tree
2014-09-02
Magnus Lundborg
Fix data block length
when
u
ncompressing TNG
d
at
a
.
commit
|
commitdiff
|
tree
2014-09-01
Magnu
s
Lundborg
T
N
G: Han
d
le larg
e
fil
e
s
on 32 b
i
t sy
s
tems
.
commit
|
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|
tree
2014-09-01
M
a
g
n
us L
u
ndborg
W
h
en writi
n
g T
N
G include fi
l
e closi
n
g
i
n
w
allcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Ma
g
nus
L
u
n
d
b
org
Fixed TNG memory al
i
gnment problem a
n
d rese
t
poin
t
ers
.
commit
|
commitdiff
|
tree
2014-07-05
Ma
g
nu
s
Lundborg
Fix bug ca
u
sing
rea
d
ing next fra
m
e not to stop
.
commit
|
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|
tree
2014-07-05
Magnus L
u
ndborg
Fix tng_num_frame_s
e
t
s_get
(
)
with no f
r
ame sets
.
commit
|
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|
tree
2014-06-28
Magnus Lundborg
Updat
e
TNG buil
d
system
commit
|
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|
tree
2014-06-24
Magnus
Lundb
o
rg
Improved check to d
e
cide
i
f to add
chain/residue
.
commit
|
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|
tree
2014-06-19
Magnus Lun
d
borg
Bumped the TNG library to
the l
a
test
v
e
rsion
.
commit
|
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|
tree
2014-05-31
Mag
n
u
s Lu
n
dborg
Fix bu
g
wr
i
ting T
N
G
output fr
o
m dump
.
commit
|
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|
tree
2014-05-31
Magnus Lundborg
Bug fix in the TN
G
li
b
rary to improve rea
d
ing
.
commit
|
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|
tree
2014-04-24
Mag
n
us L
u
ndb
o
r
g
M
o
r
e eff
i
c
ient TNG selection group creation
commit
|
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|
tree
2014-04-16
Ma
g
n
u
s L
u
ndborg
Fixed
b
ug inverting co
m
pression precis
i
on
.
commit
|
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|
tree
2014-03-01
Magnus L
u
nd
b
or
g
Bumped TNG to latest version
.
commit
|
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2014-02-13
Magnus Lu
n
dborg
One more b
u
m
p
of the
T
NG version
.
commit
|
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|
tree
2014-02-13
M
a
gnus L
u
ndbo
r
g
Removed
o
pt
i
on to u
s
e OpenMP with the TNG libra
r
y
.
commit
|
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|
tree
2014-02-12
Mag
n
us
L
undb
o
rg
En
a
ble TNG builds on Windows by default
.
commit
|
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|
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2014-02-12
Magnus
Lundborg
B
u
mped
T
N
G to
la
t
est version
.
commit
|
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|
tree
2014-02-11
M
a
gnu
s
Lundborg
Ad
d
ed inform
a
tion abo
u
t
h
ow to
cite the TNG p
a
per
.
commit
|
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|
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2014-01-20
Magnus Lu
n
dborg
Add
T
NG
w
riting and rea
d
in
g
support
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|
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|
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2013-10-29
Magnus
Lundborg
Fix
e
d me
m
or
y
lea
k
i
n
gmxdump
.
commit
|
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|
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2013-09-02
Magnu
s
L
undborg
Set upper case
o
f F
F
TW variable
at th
e
righ
t
p
lac
e
.
commit
|
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|
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2013-04-29
Magnus Lundbo
r
g
F
i
xes "F
u
nction ty
p
e U-B no
t
implemented in ip_pert
.
"
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