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Fixed trjconv -sub
2011-01-07
Mark Abraham
Imp
l
emented ef
f
ective test for MPI_IN_P
L
ACE
,
th
a
nks
.
.
.
commit
|
commitdiff
|
tree
2011-01-06
Mark Abraham
Stop
CMake defa
u
lting to turni
n
g of
f
c
o
m
p
iler warning
s
.
.
.
commit
|
commitdiff
|
tree
2010-12-06
Mark Abraha
m
A
dded c
o
mments and workaround f
o
r IBM
'
s
BlueGe
n
e(/L
.
.
.
commit
|
commitdiff
|
tree
2010-11-22
Mark Abraha
m
Added a hin
t
to the docume
n
tation
for creating
.
tpr
.
.
.
commit
|
commitdiff
|
tree
2010-11-12
Mark Abraham
Mi
n
or t
r
jc
o
n
v documentat
i
on fo
r
m
a
t
t
i
n
g fix
commit
|
commitdiff
|
tree
2010-11-12
Mark A
b
raham
g_de
n
smap -od wr
i
tes a
.
dat file and prevents writing
.
.
.
commit
|
commitdiff
|
tree
2010-11-09
Mark Abraham
GM
X
_POWERPC_INV
S
QRT should
b
e OFF in C
M
akeList
s
.
txt
.
.
.
commit
|
commitdiff
|
tree
2010-11-07
Mark
A
br
a
ham
Made mdrun exit wi
t
h a fatal error
for E
M
or NM
with
.
.
.
commit
|
commitdiff
|
tree
2010-11-06
Mark Abraham
Fixed
.
xvg legends
f
o
r g_sas options -or an
d
-oa
commit
|
commitdiff
|
tree
2010-10-24
M
a
rk Abraham
Don't spri
n
tf va
r
iabl
e
-si
z
ed
inpu
t
int
o
fi
x
ed-size
.
.
.
commit
|
commitdiff
|
tree
2010-10-22
Mark Abraham
Re-ena
b
le
d
for BlueGene/L an optimiz
a
tion in
t
h
e B
G
.
.
.
commit
|
commitdiff
|
tree
2010-10-22
Mark Ab
r
aha
m
R
e
arrange
d
cm
a
ke+BlueGene solution to
h
ave the same
.
.
.
commit
|
commitdiff
|
tree
2010-10-22
M
ar
k
Abraham
Made GMX_POWER
P
C_INVSQRT work
p
roperl
y
on Power6 and
.
.
.
commit
|
commitdiff
|
tree
2010-10-22
Mar
k
Abraham
Po
w
er6 FORTRAN kernels
d
o not wo
r
k on PPC
4
40 o
r
PPC45
0
.
.
.
commit
|
commitdiff
|
tree
2010-10-22
Mark Abraham
F
ixing a
t
riv
i
al
m
angle introduced
in
b
5d842ff1d94174b6e7012
.
.
.
commit
|
commitdiff
|
tree
2010-10-20
Mark Abr
a
ham
Fixed c
m
ake to wor
k
with Blue
G
ene/L
.
This fix d
o
e
s
.
.
.
commit
|
commitdiff
|
tree
2010-10-05
Mark Abraham
Fix
m
an
u
a
l
references f
o
r 'continuatio
n
'
, rather tha
n
.
.
.
commit
|
commitdiff
|
tree
2010-10-05
Mark Abraham
mk_dlist() chang
e
d its par
a
meter list, so i
t
s declaration
.
.
.
commit
|
commitdiff
|
tree
2010-09-23
M
a
r
k
Abrah
a
m
Fix
e
s for g_chi fo
r
bu
g
zilla 569, so th
a
t it now uses
.
.
.
commit
|
commitdiff
|
tree
2010-09-23
M
ark Abraham
Ext
e
nsions t
o
th
e
gmx_residuet
y
pes_t API t
o
meet t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-09-14
Mark Abraha
m
When grompp failed t
o
find the forc
e
field, the
e
rror
.
.
.
commit
|
commitdiff
|
tree
2010-09-14
Mark
Abr
a
ham
For
m
atting fi
x
es
t
o
docume
n
tation
commit
|
commitdiff
|
tree
2010-09-09
M
a
r
k Ab
r
aham
Added T
I
P
5p to C
H
ARMM forc
e
field by
a
n
a
l
o
gy with AMBER03
.
.
.
commit
|
commitdiff
|
tree
2010-09-09
Mark Ab
r
aham
S
p
elling fix
commit
|
commitdiff
|
tree
2010-09-08
Ma
r
k Abraham
Added
n
ote
t
o g_covar a
b
out memory co
s
ts and
m
anaging
.
.
.
commit
|
commitdiff
|
tree
2010-09-02
Mark Abraham
Fix
sp
e
lli
n
g error
commit
|
commitdiff
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tree
2010-09-01
Mark Abraha
m
Formatting fixes t
o
documentat
i
on
commit
|
commitdiff
|
tree
2010-09-01
Mark Abraham
Merge branch '
r
elease-4-5
-
p
a
t
che
s
' of g
i
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Ma
r
k Abrah
a
m
make_op
t
.
ht
m
l
n
ow doe
s
n't us
e
<
h
4>, r
a
t
her it uses
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
M
a
rk Abr
a
ham
Gene
r
al fixes
commit
|
commitdiff
|
tree
2010-08-30
M
ark Abraham
Made a pdb2gmx messa
g
e
l
es
s
cryptic
wh
e
n
i
t
finds multiple
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Mark Abraham
Spellin
g
fixes in pdb2gm
x
docu
m
enta
t
ion
commit
|
commitdiff
|
tree
2010-08-26
Mark Abr
a
h
a
m
Made the
d
escripti
o
n of
l
d
_seed
a
nd gen_see
d
seed gener
a
tion
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
M
a
r
k Abr
a
ha
m
Fixed HTML doc
u
mentat
i
o
n
to use proper
'&ge', n
o
t
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Mark Abrah
a
m
C
l
ari
f
ied documentation a
b
o
u
t wh
e
n g
e
n_vel
g
e
ne
r
ates
.
.
.
commit
|
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|
tree
2010-08-25
M
a
rk
Abraham
Fix
e
d
l
ea
k
f
r
om uncl
o
se
d
directory handles when pdb2gmx
.
.
.
commit
|
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2010-08-25
Mark Abrah
a
m
Made pd
b
2
g
m
x be slightly more
h
e
l
p
ful when using
AMBER
.
.
.
commit
|
commitdiff
|
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2010-08-23
M
a
rk A
b
ra
h
am
T
w
o spelli
n
g fixes in comment and o
u
tput
commit
|
commitdiff
|
tree
2010-06-24
M
a
r
k
A
braham
A
dded
snew_aligned
and sf
r
e
e
_
a
l
ig
n
e
d fo
r
manag
i
ng n
.
.
.
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|
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