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Added basic tests for gmx msd
2018-09-17
Kevin Boyd
A
d
d
e
d b
a
sic t
e
s
t
s for
g
m
x
m
s
d
commit
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commitdiff
|
tree
2018-08-10
Kevin Boyd
Ad
d
ed physical validation document to the
d
ev manual
.
commit
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commitdiff
|
tree
2018-08-06
K
evi
n
Boyd
Fix gmx solvate
t
opology updating
commit
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commitdiff
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tree
2018-08-04
K
evin Bo
y
d
Sup
p
ort
h
wloc
2
.
x
.
x
commit
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commitdiff
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tree
2018-07-31
Kev
i
n Boyd
R
eport
u
p
to date hwloc version in
f
o
r
m
ation
commit
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commitdiff
|
tree
2018-07-29
Kev
i
n Boyd
Fixed syntax error i
n
make_gro
m
os_rt
p
.
py
commit
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commitdiff
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tree
2018-06-14
Kev
i
n
Boyd
Cha
n
ged
d
ocumentatio
n
on common err
o
rs during mini
m
i
z
a
tion
commit
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commitdiff
|
tree
2018-06-06
Kevin Boyd
Added
to PME on GPU
information in mdr
u
n performance
commit
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commitdiff
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tree
2018-06-01
Kevin Bo
y
d
Cosmetic f
i
xes to mdp docume
n
tatio
n
commit
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commitdiff
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tree
2018-05-23
Kevin Boyd
Removed "XXX non-
m
atching atom name
s
" Martini statem
e
nt
.
commit
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commitdiff
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tree
2018-05-22
Kevin Boyd
Co
s
me
t
ic do
c
umentatio
n
cha
n
ges
commit
|
commitdiff
|
tree
2018-05-22
Kevi
n
Bo
y
d
Mi
n
or f
i
x
e
s
t
o
mdr
u
n performa
n
ce documentation
commit
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commitdiff
|
tree