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Added g_hydorder.1 man page.
2011-04-10
David van der Sp
o
e
l
A
d
d
ed g_hydor
d
er
.
1 man page
.
commit
|
commitdiff
|
tree
2011-04-06
David v
a
n der Spoe
l
Fixed header f
o
r gmx_
c
onect_init
commit
|
commitdiff
|
tree
2011-04-04
D
avi
d
van der Spoel
New ent
r
y
commit
|
commitdiff
|
tree
2011-01-22
David van der Spoel
Fi
x
ed
b
ug
6
7
8 whic
h
was due t
o
cal
l
in
g
g
m
x_fatal without
.
.
.
commit
|
commitdiff
|
tree
2010-12-23
Davi
d
van
der Spoel
Fixed bug in sta
t
istics w
h
i
c
h did not all
o
w fit
t
ing
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
Davi
d
van der Spoel
M
e
rge bran
c
h 'release-4-5-patches' of git
.
gromacs
.
o
r
g
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
D
a
vid van der
S
poel
A
d
ded 1 quote
.
commit
|
commitdiff
|
tree
2010-11-28
David van der Spoe
l
Fixed bug
z
illa 616
about form
a
tti
n
g
i
n the h
e
lp text
.
commit
|
commitdiff
|
tree
2010-11-18
David
v
an der Spo
e
l
Mad
e
printing in check_multi_init conditi
o
n
a
l, depending
.
.
.
commit
|
commitdiff
|
tree
2010-10-28
David va
n
der Spo
e
l
Merge branch
'
release-4-5-pat
c
hes
'
o
f
git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-08
David
v
an der Spoel
Mer
g
e branc
h
'release-4-
5
-patche
s
' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-09-28
D
a
vid va
n
der Spo
e
l
Re-added g_kineti
c
s to src
/
to
o
ls/Makefile
.
am
commit
|
commitdiff
|
tree
2010-09-24
David
v
a
n der Spoel
Updated t
o
reflect bug 557
.
commit
|
commitdiff
|
tree
2010-09-16
D
avid van der Sp
o
el
Corrected name of one of the
d
evelopers listed in header
.
commit
|
commitdiff
|
tree
2010-09-14
David van der Spo
e
l
Fixe
d
bug 553 by
checking whethe
r
an atom
n
ame is l
o
nger
.
.
.
commit
|
commitdiff
|
tree
2010-09-12
David v
a
n der
Spo
e
l
Fixed
d
emo to wor
k
w
ith ne
w
pdb2gmx th
a
t requ
i
res two
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
Davi
d
van der Sp
o
el
Made genrestr -constr to
p
r
oduce co
n
s
t
raints of type
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
D
av
i
d van der Spo
e
l
Fixe
d
bug 4
1
7
.
commit
|
commitdiff
|
tree
2010-08-19
D
a
vid
v
an d
e
r
Spoel
Fixes more miser
y
in function skipstr
,
w
h
ere pointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
David van der Spoel
Added two missing inc
l
ude
files
.
F
ixed horrible
coding
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
David va
n
de
r
Spoe
l
Fix
e
d
reuse of va
r
iable as
tem
p
variable b
e
fore prin
t
ing
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van
der Spo
e
l
F
ixed b
u
g
4
8
7
according to p
r
o
v
i
d
ed patch
.
commit
|
commitdiff
|
tree
2010-08-03
David v
a
n der Spo
e
l
Fix
e
d
documentation text
a
ccordi
n
g to bugzilla
48
6
commit
|
commitdiff
|
tree
2010-08-01
David van der Spoel
M
erge branch 'release-4-5-pa
t
che
s
'
o
f git
.
gr
o
macs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
David van der Spoel
Move
d
p
db2t
o
p
.
h from
src/
k
ern
e
l to
incl
u
de to all
o
w
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
David van
der Spoel
Renamed typena
m
e
to my_typename in
i
ndex
.
c si
n
ce
t
ypename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
David van der Spoe
l
Fixed compil
a
tion
i
ssue corresponding t
o
bug 468
commit
|
commitdiff
|
tree
2010-07-13
David van der Spoel
Fixed bug 466 by
commenting
o
ut the offending l
i
ne
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David
v
an der Spoel
Mer
g
e branch 'master' of g
i
t
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-07-08
D
a
vid van der
Spoel
Adde
d
b
o
ndedt
y
pes section to rtp
files
.
It might be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
Da
v
id van
der Spoel
Fixed include sta
t
ements such that do
u
ble precision
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
D
a
vid van der Spoel
Merge branch 'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
Da
v
i
d
v
an
der Spo
e
l
Made
removing pbc non-static
.
This a
f
fects many analysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David v
a
n der Spoel
M
erge b
r
an
c
h
'
master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
Davi
d
van d
e
r Spo
e
l
Fi
x
ed bug
http://bu
g
zilla
.
g
r
om
a
cs
.
org/
s
how_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
Fixed
h
ttp:/
/
b
ugzil
l
a
.
g
r
omacs
.
org/show_bug
.
cgi?id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der S
p
oel
M
e
rge bran
c
h 'master' of git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-30
David van der
S
p
oel
Fixed bu
g
in b-fac
t
ors out
p
ut by g_
c
on
f
rms
.
They
w
ere
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van d
e
r Spoel
Ad
d
ed mi
s
sing argument step to
t
rotter_update
.
Ho
w
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van
der Sp
o
el
Merg
e
branch 'm
a
st
e
r' of g
i
t
.
gromacs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-27
David van
d
er S
p
oe
l
Updat
e
d CMa
k
eList
s
.
txt in ngmx director
y
to excl
u
de
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
F
ixed m
a
ny issues r
e
garding to
compilation with C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
D
a
vid v
a
n
d
er Sp
o
el
Fixed Makefil
e
.
am leadin
g
to
warnings
.
commit
|
commitdiff
|
tree
2010-06-14
D
avid van de
r
Spoel
Fi
x
ed make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van
d
e
r Spoel
Merge bra
n
ch
'
m
aster' of git
.
grom
a
cs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-14
Da
v
id van der Spoel
Added mo
r
e
fixes in co
m
ment
texts, gener
o
us
l
y prov
i
ded
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
avid van der Spoel
Fixed a lo
t
o
f
spe
l
ling errors
in comments and document
a
tion
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David va
n
der Spoel
M
e
rge branch 'master' of g
i
t
.
gr
o
m
acs
.
o
rg:g
r
o
m
acs
commit
|
commitdiff
|
tree
2010-06-11
Da
v
id v
a
n der Spoel
Fixed forc
e
field files for ATP in ord
e
r to
clea
r
bug
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid
van
d
er Spo
e
l
Mer
g
e b
r
anch
'
mast
e
r
' of git
.
gromacs
.
o
r
g:gro
m
acs
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van der Spoel
Made
l
e
gend more or le
s
s
w
ork in g_chi
.
D
o
n't kno
w
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van d
e
r Spoel
Fixed SEG
V
in g_chi as described in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van der Spoel
Ad
d
ed optio
n
-nopbc to g_rmsdist in ord
e
r to fix
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van der
Spoel
Pe
d
antic change in the ch
e
ck wheth
e
r a filename is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d va
n
der
S
p
oel
Renamed some
programs to follow
t
he
g
_ doctr
i
ne: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoe
l
C
lea
n
ed
u
p
and renamed
f
iles i
n
ngmx directory
to bet
t
er
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van d
e
r Spoel
Renam
e
d some files in a roundabo
u
t way
to
a
dhere
to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van
d
e
r Spoel
Removed average
.
c, th
a
t functionality i
s
now in g_a
n
alyze
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Fixed s
t
r
a
n
g
e typo in
gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
Dav
i
d van der
S
po
e
l
Moved warning message in add_atomtyp
e
t
o
b
e
printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
D
a
vid van der Spoel
Made x2top (very)
s
lightly funct
i
o
nal again
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David
va
n
der Spoel
C
h
a
n
g
ed error mes
s
age for settle problems
,
su
c
h that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der S
p
oel
Adde
d
e
xplici
t
angle
i
n
ACE
d
e
c
larati
o
n in g
r
omac
s
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David va
n
der Sp
o
el
Fixed type
i
n
g
mx_morp
h
.
c: efTRO -> efT
R
X which le
a
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
av
i
d van der Spoel
Fixed bug 396
.
I
n
fact it was alre
a
dy fixed p
a
rtly
.
commit
|
commitdiff
|
tree
2010-05-25
David van der
Spoel
Merge b
r
anch
'
m
ast
e
r
' o
f
g
i
t
.
gr
o
macs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-25
Dav
i
d van
der Spoel
Added one
m
ore!
commit
|
commitdiff
|
tree
2010-05-21
Dav
i
d van
der
S
poel
Fixed
compila
t
i
o
n warnings
a
nd removed
s
purio
u
s C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
D
avid van der
S
poel
Made g_analyz
e
c
o
mpile
a
gain, but ot link yet
.
commit
|
commitdiff
|
tree
2010-05-19
David van der Sp
o
el
Merge
br
a
nch 'm
a
st
e
r' of g
i
t
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
David van der Spoel
Added check in
r
e
ad_p
d
b
for existence of t
_
r
esinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van der
S
p
oel
Added a cool quote, and removed
t
wo c
o
m
m
a
'
s
in openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der
S
p
o
el
Merge branch
'
m
aster' of g
i
t
.
gromacs
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Fixed scat
t
e
r
ing
f
unct
i
on cod
e
in g_
r
df
.
A n
e
w file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David van der Sp
o
el
Added one
commit
|
commitdiff
|
tree
2010-04-04
Davi
d
van der Spoel
A
d
ded
o
n
e
.
commit
|
commitdiff
|
tree
2010-04-04
D
avid va
n
d
e
r Spoel
Merge branch 'master' of git
.
grom
a
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-03-12
D
a
vid van der S
p
oel
M
e
rge branch 'master'
of git
.
gromacs
.
o
rg:groma
c
s
commit
|
commitdiff
|
tree
2010-03-12
David
v
an der Sp
o
el
Added flush aft
e
r writ
i
ng
to
d
ebug file
commit
|
commitdiff
|
tree
2010-02-14
David
v
a
n
der Sp
o
el
A
dded function to increase the ar
r
ay s
i
z
e
s
in a t_
a
toms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David
va
n
der Spoel
Replaced some st
r
cpy by strn
c
py to avoid overf
l
ow
s
.
commit
|
commitdiff
|
tree
2010-02-06
David van der
Spoel
Rep
l
ace
d
two strcpy by
s
t
rn
c
p
y in
p
d
bio
.
c to prevent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David van
der
Spoel
Changed
a
t
om
n
u
mber f
o
r
O
S (opls_179, op
l
s_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David van der Spoel
Merge
b
ra
n
ch 'mas
t
er' o
f
git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-12-07
David van d
e
r Spoel
Updated
commit
|
commitdiff
|
tree
2009-12-01
Da
v
i
d
van der Spoel
Added inclu
d
e/
v
md
i
o
.
h to the inst
a
llable
h
ead
e
rs du
e
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van der
S
p
oel
Added
c
h
ec
k
for chdir r
e
turn value
.
commit
|
commitdiff
|
tree
2009-11-10
Da
v
id van der Spo
e
l
A
d
ded 2!!!
commit
|
commitdiff
|
tree
2009-09-18
D
avid van der
Spoel
Ad
d
e
d a l
o
t of
h
elp text
commit
|
commitdiff
|
tree
2009-09-18
D
a
v
i
d van d
e
r
Spoel
Removed co
n
fusing --disa
b
le-nice
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid van der Spoel
Merge branc
h
'master'
of g
i
t
.
g
romacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-09-18
David v
a
n de
r
Spoel
Added
functional
i
ty
t
o chan
g
e directori
e
s and ba
c
k
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
van der Spoe
l
Fixed compilation
issue
.
commit
|
commitdiff
|
tree
2009-09-15
Davi
d
van der Spoel
M
a
de
regula
r
histogra
m
for
g_c
l
ustize t
o
represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
Davi
d
van der Sp
o
el
M
e
r
g
e branc
h
'master' of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-14
Da
v
id van de
r
S
p
o
el
Made s
t
atist
i
c
s work w
i
th onl
y
1 data
point
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoel
Merge bra
n
c
h
'ma
s
ter' of git
.
groma
c
s
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van
der Spoe
l
Ma
d
e thr
e
ad s
t
uff optional
commit
|
commitdiff
|
tree
2009-08-27
David va
n
der Spoel
Added
mis
s
in
g
filename
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2009-08-26
Da
v
id
v
an
d
er Spoel
M
ade c
o
mp
i
lable again
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