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Merge branch 'master' of git.gromacs.org:gromacs
2010-06-11
David van der
Spoel
M
er
g
e b
r
anch 'maste
r
' of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-11
D
avid
v
an d
e
r
Spo
e
l
Fixed f
o
r
ce f
i
eld files for ATP i
n
o
rder to
clear b
u
g
commit
|
commitdiff
|
tree
2010-06-10
David van
d
e
r
Spoel
Me
r
ge branch 'master'
of g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid va
n
d
e
r Spoel
Ma
d
e legend more
or les
s
work i
n
g_chi
.
Don't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van
der Spoel
Fi
x
ed S
E
GV in g_chi as des
c
r
i
b
e
d
in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er Sp
o
el
Added opti
o
n -n
o
pbc to g_
r
msdi
s
t i
n
order to fix
commit
|
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tree
2010-06-10
D
avid va
n
der S
p
oel
Pedantic change in the c
h
e
ck whether a filena
m
e is
.
.
.
commit
|
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|
tree
2010-06-10
Dav
i
d van der
S
po
e
l
Re
n
amed
s
ome
progr
a
ms to follow
t
he g_ doctrine:
luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Clea
n
ed u
p
and renamed files
in ngmx
directory
to better
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Renamed some fi
l
es in a rounda
b
o
u
t way to adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id van der
Spoel
Re
m
oved av
e
r
a
ge
.
c, th
a
t fu
n
ctionality is n
o
w in g
_
analyze
.
commit
|
commitdiff
|
tree
2010-06-10
David van der
Spoel
Fi
x
ed
s
tran
g
e typo in gm
x
_
dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
Davi
d
van der Spoel
Moved w
a
rning mes
s
a
g
e in add_atomtype
to be printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David van der Spoel
Made x2top
(
very) slightly functional again
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
i
d
v
a
n der Sp
o
e
l
Chan
g
ed error messa
g
e
for s
e
ttle problems, su
c
h that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
a
vid van der Spoel
Added explic
i
t
a
n
g
l
e
in ACE declara
t
ion
i
n
g
ro
m
a
c
s
.
.
.
commit
|
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|
tree
2010-06-02
David
van der S
p
oel
Fixed ty
p
e in gmx_morph
.
c
:
efTR
O
->
e
f
T
RX which lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
van der Spoel
Fix
e
d bug 396
.
I
n
fac
t
it was
already fix
e
d partly
.
commit
|
commitdiff
|
tree
2010-05-25
David van
der Spoel
Mer
g
e
b
ran
c
h 'mast
e
r' of git
.
g
r
oma
c
s
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoel
Added one more!
commit
|
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|
tree
2010-05-21
David van d
e
r Spo
e
l
Fixed comp
i
lation wa
r
nings
a
nd
removed spurious C
+
.
.
.
commit
|
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|
tree
2010-05-20
David
v
an der S
p
oel
Made g_
a
nalyze compile aga
i
n, but ot lin
k
yet
.
commit
|
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|
tree
2010-05-19
Dav
i
d van der Spoel
M
e
rge branch 'mast
e
r' of
g
it
.
g
r
omacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-19
David va
n
der Spoel
Add
e
d
che
c
k i
n
read_pdb for exist
e
nce
of t_resinf
o
.
.
.
commit
|
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|
tree
2010-05-18
D
a
vid
v
an der Spoe
l
A
dded a cool q
u
ote, and removed two
c
omma'
s
in
o
penm
p
.
.
.
commit
|
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|
tree
2010-05-16
D
avid van der Spoel
Merge
branch 'master' of git
.
gro
m
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-16
David
v
an der Spoel
Fix
e
d
scatteri
n
g
fun
c
tion
c
ode
in g
_
rdf
.
A n
e
w file
.
.
.
commit
|
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|
tree
2010-04-30
Da
v
id
van
d
er Spoel
Added o
n
e
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|
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|
tree
2010-04-04
David va
n
der
S
poel
Added one
.
commit
|
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|
tree
2010-04-04
David van der Spoel
Merge branch
'
m
a
ster' of git
.
gr
o
macs
.
o
r
g:gro
m
acs
commit
|
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|
tree
2010-03-12
David van der S
p
oel
Merg
e
b
ranch 'master' of git
.
gromacs
.
org:
g
ro
m
a
c
s
commit
|
commitdiff
|
tree
2010-03-12
David van der Spoel
A
dde
d
flus
h
after wri
t
i
ng to deb
u
g
file
commit
|
commitdiff
|
tree
2010-02-14
David
v
a
n
d
er S
p
oel
Added function to incre
a
s
e
the ar
r
ay
s
i
zes in a t_atoms
.
.
.
commit
|
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|
tree
2010-02-13
David
van
d
er Spoel
Replaced some st
r
cpy
by
st
r
n
c
py to
a
void overflow
s
.
commit
|
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|
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2010-02-06
David van der Sp
o
el
Repl
a
ced tw
o
s
t
r
cpy by strncpy in
pdbio
.
c to prev
e
nt
.
.
.
commit
|
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|
tree
2009-12-14
Da
v
id v
a
n der Spoel
Changed ato
m
n
u
mbe
r
for
O
S
(opls
_
1
79, opls_180) to 8
.
.
.
commit
|
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|
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2009-12-07
David van
der Spoe
l
Merge bra
n
ch 'master' o
f
git
.
g
roma
c
s
.
o
r
g:gro
m
acs
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|
commitdiff
|
tree
2009-12-07
Da
v
id van der
S
p
o
el
Updated
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
Added i
n
clude/v
m
dio
.
h to the
inst
a
llable header
s
d
ue
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
Dav
i
d
v
an der Spoe
l
Add
e
d
c
heck for
c
hdir return value
.
commit
|
commitdiff
|
tree
2009-11-10
Dav
i
d
van der Spoel
Added 2!!!
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
van der Spoel
Added a lo
t
of help t
e
xt
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
va
n
der Spoel
R
emoved confusi
n
g
--dis
a
b
le-nice
commit
|
commitdiff
|
tree
2009-09-18
David van der Sp
o
e
l
Mer
g
e br
a
nch 'master' of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
David van
de
r
Spoel
Added funct
i
on
a
lity to c
h
ange dir
e
ctories and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David van
der
S
p
o
el
F
i
xed compilatio
n
i
s
s
u
e
.
commit
|
commitdiff
|
tree
2009-09-15
D
avid
van der Spoel
Made reg
u
l
a
r
h
is
t
ogram for g_clustize t
o
rep
r
esent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van de
r
Spoel
M
erge
b
ranch 'ma
s
ter' of git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-09-14
David
v
an
der Spoe
l
Made statistics wo
r
k
with only 1 data
point
commit
|
commitdiff
|
tree
2009-08-27
David van
der Spoel
Merge branch
'
m
a
ster' of
g
it
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-08-27
D
a
vi
d
v
an der
S
poel
Made thread stuff op
t
ional
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|
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|
tree
2009-08-27
David van der S
p
o
el
Added missing
f
ilename
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|
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|
tree
2009-08-26
David
v
an der Spoel
Made
c
ompila
b
le again
commit
|
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|
tree
2009-07-19
David van der
S
poel
Remov
e
d
d
o
u
b
l
es
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|
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|
tree
2009-07-10
David v
a
n der
S
p
o
e
l
Mer
g
e b
r
an
c
h 'm
a
ster' of git@git
.
gromac
s
.
o
rg:gr
o
m
a
cs
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Fix
e
d
e
rro
n
e
ou
s
c
h
e
cks for
N
ULL pointers
.
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|
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|
tree