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Added g_hydorder.1 man page.
2011-04-10
David van der Sp
o
el
Added g_
h
y
d
o
r
der
.
1
man p
a
ge
.
commit
|
commitdiff
|
tree
2011-04-06
D
a
v
id van d
e
r
Sp
o
el
Fixed header
f
or gmx_conect_init
commit
|
commitdiff
|
tree
2011-04-04
Da
v
i
d va
n
der Spoel
New entry
commit
|
commitdiff
|
tree
2011-01-22
Davi
d
van der Sp
o
el
Fixed b
u
g 6
7
8 which w
a
s du
e
to calling gmx_fatal with
o
ut
.
.
.
commit
|
commitdiff
|
tree
2010-12-23
D
a
vid van
d
er
S
poel
Fixed bug in statistics whi
c
h di
d
n
ot allow fitting
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
Dav
i
d van
d
er Spo
e
l
Merge branch
'release-4
-
5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
David van der Spoel
Added 1 quot
e
.
commit
|
commitdiff
|
tree
2010-11-28
David van de
r
Spoel
Fixed b
u
gz
i
lla 616 a
b
out fo
r
matting in
t
he help tex
t
.
commit
|
commitdiff
|
tree
2010-11-18
D
av
i
d van der Spoel
Made
p
rinting
i
n c
h
eck_mul
t
i_init condi
t
ional,
d
epending
.
.
.
commit
|
commitdiff
|
tree
2010-10-28
David
v
an der Spoel
Merge branch 'release-4-
5
-patches' of git
.
groma
c
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-08
David van der Spoel
Merge br
a
nch 'rele
a
se-4-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-09-28
David van der
Spoel
Re-added g_kinet
i
cs
to src/t
o
ols/Ma
k
efi
l
e
.
am
commit
|
commitdiff
|
tree
2010-09-24
David van
der S
p
oe
l
Updated
t
o
r
eflect b
u
g 5
5
7
.
commit
|
commitdiff
|
tree
2010-09-16
David v
a
n der Spoe
l
Corrected name of
o
ne of
t
he de
v
elopers
l
i
sted in
header
.
commit
|
commitdiff
|
tree
2010-09-14
Da
v
id van der S
p
oel
F
i
x
ed bug 553 by check
i
ng
whether an atom na
m
e is long
e
r
.
.
.
commit
|
commitdiff
|
tree
2010-09-12
D
avid
v
an der Spoel
Fix
e
d
demo to
work
w
ith ne
w
p
db2gmx that r
e
q
u
i
r
e
s two
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
Da
v
id
v
an der
Spoel
Made ge
n
rest
r
-c
o
nstr to produ
c
e constrai
n
ts of type
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
David van der
Spoel
Fixed bug 417
.
commit
|
commitdiff
|
tree
2010-08-19
D
a
vid van der Spoe
l
Fixe
s
more misery in func
t
ion skipst
r
, w
h
ere
pointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
David
v
an d
e
r Spoel
A
d
ded two miss
i
ng include files
.
Fixed ho
r
r
ible codi
n
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
David van der
Spoel
Fixed reuse o
f
variable as temp
variable
b
e
f
ore prin
t
ing
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van der Spoel
F
ixed bug 487 ac
c
ording to provided patch
.
commit
|
commitdiff
|
tree
2010-08-03
David van der Spoel
Fix
e
d documentati
o
n text
according t
o
b
ugz
i
lla 486
commit
|
commitdiff
|
tree
2010-08-01
D
a
vi
d
v
a
n der Spoel
Merge
b
ranch 'release-4-5-patches'
o
f git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
D
avid van
der Spoel
Moved p
d
b2top
.
h from src/kernel to
include to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
Da
v
id
van der S
p
oel
R
e
named typena
m
e to my_typename in index
.
c sin
c
e
t
ypename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
David van der S
p
oel
Fixed compilation issue
c
orrespondi
n
g t
o
bug 468
commit
|
commitdiff
|
tree
2010-07-13
Da
v
id van der Spoel
Fixe
d
bug 466 b
y
commenting out the offe
n
ding lines
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
D
avid van d
e
r Spoel
Merge branch 'master' of
git
.
g
romac
s
.
org
:
groma
c
s
commit
|
commitdiff
|
tree
2010-07-08
D
a
v
i
d
v
an der Spoel
Added bondedtype
s
s
e
ctio
n
to
r
tp
f
iles
.
It might
be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
D
avid van de
r
Spoe
l
Fix
e
d includ
e
s
t
atemen
t
s
s
u
ch
that double precision
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David
v
an der Spoel
Merge branch
'mast
e
r' of
git
.
gromacs
.
org:gr
o
ma
c
s
commit
|
commitdiff
|
tree
2010-07-02
Da
v
id
v
a
n der Spoel
Made removing pbc non
-
sta
t
ic
.
Th
i
s
a
ffects m
a
n
y
analysi
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David v
a
n der Spoel
Merge
b
ranch 'master'
o
f g
i
t
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-07-02
D
avid van der Spoe
l
Fixed bu
g
http://bug
z
illa
.
gromacs
.
org/show_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
F
ixed http://b
u
gzilla
.
gro
m
a
c
s
.
o
r
g
/show_bug
.
cgi
?
id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Da
v
id van der Spoel
Merge bran
c
h 'master' of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-30
Dav
i
d van der
S
poel
F
i
xed bug in b-factors output by g_confrm
s
.
They were
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
Added m
i
ss
i
ng argument st
e
p t
o
trotter
_
update
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van de
r
Sp
o
el
Merge
b
ranch 'master' of
git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-27
David
van
d
er
Sp
o
e
l
U
p
dated CMakeLists
.
txt in ngmx
d
irectory to exclude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David va
n
der
S
poel
Fixed many issues regarding to compilation with
C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
David
v
an de
r
Sp
o
e
l
Fi
x
ed Mak
e
file
.
a
m
leading t
o
warnings
.
commit
|
commitdiff
|
tree
2010-06-14
David van der Spoel
Fixe
d
make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
D
a
vid
van der Spoel
Merge br
a
n
c
h 'master' of git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-14
D
avid van de
r
Spoel
Adde
d
more fixes in comment te
x
ts, genero
u
sly provided
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
a
vid van de
r
Spoel
Fix
e
d
a lot of spelling
e
rro
r
s in comme
n
t
s and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David
v
an der Spoel
Merge bra
n
ch
'
m
a
ster' of git
.
gr
o
mac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-11
David van der S
p
oel
Fixed force fie
l
d fil
e
s for ATP in ord
e
r t
o
clea
r
bug
commit
|
commitdiff
|
tree
2010-06-10
David va
n
de
r
Spoel
Merge
b
ranch '
m
a
s
t
e
r
' of git
.
g
r
om
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Made
l
egend more or less work
i
n
g_chi
.
Don't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id v
a
n der
S
po
e
l
Fixed SEGV
i
n
g_chi as
d
escribed in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
D
avid van der Spoel
Added option -
n
opbc to g
_
rmsdist in order
t
o fi
x
commit
|
commitdiff
|
tree
2010-06-10
D
avid van der
S
p
o
el
P
edantic c
h
ang
e
in the che
c
k whether
a
f
il
e
name is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van der Spoe
l
R
e
named s
o
me programs to follow the
g
_ doctrine
:
lu
c
k
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
a
n der Spoel
C
leaned up and renam
e
d
f
iles in ngmx
d
irect
o
ry to better
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n d
e
r S
p
o
el
Renamed
s
ome files in a
r
oundab
o
ut way to adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van de
r
Sp
o
el
Removed average
.
c,
that functional
i
ty is
now in g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van der Spoel
Fixed
s
trange ty
p
o
in gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David van
der Sp
o
el
Mo
v
e
d
warning
message in
add_atomtype
t
o be printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
Da
v
id van der
S
poel
Made x2
t
op (very)
s
l
ightly
fun
c
tion
a
l again
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoel
C
hanged error message for
settle proble
m
s,
s
uch
t
hat
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
avid van d
e
r Spoel
A
dded expl
i
cit angl
e
in ACE declara
t
i
o
n
in gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
id van de
r
Spoel
Fixed type in
g
mx_morph
.
c: efTRO
-
> efTR
X
which
lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
id va
n
der Spoel
Fixed b
u
g 396
.
I
n fact
it wa
s
al
r
eady fixed partly
.
commit
|
commitdiff
|
tree
2010-05-25
Da
v
i
d
van d
e
r S
p
oel
Merge branch 'master' of git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-25
D
avid van
der S
p
oel
Adde
d
one
more!
commit
|
commitdiff
|
tree
2010-05-21
Da
v
id van der Spoel
Fix
e
d c
o
m
p
i
l
ation war
n
ings
and removed
s
pu
r
io
u
s C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
D
a
v
id van
der Spoel
Made g_analy
z
e com
p
ile again, but o
t
link yet
.
commit
|
commitdiff
|
tree
2010-05-19
David van der Spoel
Merge
branch 'mast
e
r' of gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
David van d
e
r Spo
e
l
Added check i
n
read
_
pdb for exist
e
nce of t_resi
n
f
o
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van
d
e
r Spoel
Added
a
c
o
ol quote, and remove
d
two
comma's in openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Merge branch 'master' o
f
git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Fix
e
d sca
t
tering function cod
e
in g_rdf
.
A new
f
ile
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David van der Spoel
Ad
d
ed one
commit
|
commitdiff
|
tree
2010-04-04
Dav
i
d van der Spoel
Adde
d
one
.
commit
|
commitdiff
|
tree
2010-04-04
David van der Spoel
Merge br
a
nch 'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
David van der
S
poel
Mer
g
e b
r
anch 'master' of git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-12
David van der Spoel
Added
f
lush after writing to debug
f
i
le
commit
|
commitdiff
|
tree
2010-02-14
David van der S
p
o
el
A
d
d
ed function to increas
e
the
array siz
e
s
in a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
Davi
d
van der
Sp
o
e
l
Rep
l
aced some st
r
cpy
by strncpy to av
o
id
o
verflo
w
s
.
commit
|
commitdiff
|
tree
2010-02-06
David van der Sp
o
el
R
eplac
e
d two strcpy by strncpy
i
n
p
dbi
o
.
c to prevent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
D
avid van der S
p
oel
Chang
e
d atom
n
umber
for OS (opls_1
7
9, opl
s
_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David v
a
n d
e
r S
p
oel
Mer
g
e b
r
anch 'master
'
of
g
i
t
.
g
r
oma
c
s
.
org:
g
r
omacs
commit
|
commitdiff
|
tree
2009-12-07
David van der Spoel
Updated
commit
|
commitdiff
|
tree
2009-12-01
Davi
d
v
a
n der Sp
o
el
Ad
d
ed i
n
clude/vmd
i
o
.
h to the
installab
l
e headers du
e
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van der Spoel
Added c
h
eck for chdir return
value
.
commit
|
commitdiff
|
tree
2009-11-10
David van der Spoel
Add
e
d
2!!!
commit
|
commitdiff
|
tree
2009-09-18
David
van
d
er Spoel
Add
e
d a
l
o
t
o
f
h
elp
text
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id van
der
S
poel
Remov
e
d confusing --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
D
avi
d
van der Spoel
Mer
g
e
b
ranch '
m
a
st
e
r' of git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-09-18
D
avid v
a
n
der Spo
e
l
Added functionality to
c
h
ange directories and
b
ack
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David van d
e
r Sp
o
el
Fixed compilation
issue
.
commit
|
commitdiff
|
tree
2009-09-15
D
a
vid
v
an der Spoel
Made regular histogram for g_clustize
t
o
r
epresent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David
v
a
n
d
e
r S
p
oel
Mer
g
e br
a
n
c
h 'master' of git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-09-14
David van der
S
poel
Made
s
tatistics
w
o
r
k
w
it
h
only 1 data point
commit
|
commitdiff
|
tree
2009-08-27
David van d
e
r Spoel
Mer
g
e bran
c
h 'master' of git
.
gr
o
macs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-08-27
David van der
Spoel
Made thread stu
f
f
optio
n
al
commit
|
commitdiff
|
tree
2009-08-27
Dav
i
d
van d
e
r Spoel
A
d
de
d
missing filename
commit
|
commitdiff
|
tree
2009-08-26
D
a
vid
van der S
p
o
el
Made compi
l
a
b
l
e ag
a
in
commit
|
commitdiff
|
tree
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