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Corrected name of one of the developers listed in header.
2010-09-16
D
a
vi
d
van der S
p
oel
C
o
rr
e
cted nam
e
of one of t
h
e developer
s
listed
i
n he
a
der
.
commit
|
commitdiff
|
tree
2010-09-14
David
v
a
n
d
e
r
S
poel
Fixed bug 553 by checking whether an atom n
a
m
e i
s
l
o
nger
.
.
.
commit
|
commitdiff
|
tree
2010-09-12
Dav
i
d va
n
der Spoel
Fixed demo
to work
with
new pdb2gm
x
that
r
equires two
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
Dav
i
d
van der
S
poel
Made
genres
t
r -constr
to produce
c
onstraints
of typ
e
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
David va
n
der Spoel
Fixed b
u
g
4
1
7
.
commit
|
commitdiff
|
tree
2010-08-19
David van der Spoel
Fixes m
o
re misery in fu
n
ction sk
i
pstr, wher
e
p
ointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
D
avi
d
van der Spoel
Add
e
d
t
wo missing i
n
clude files
.
Fixed horri
b
le coding
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
D
a
vid van
d
e
r Spoel
F
i
xed
r
euse of
varia
b
l
e
as
t
emp variab
l
e
bef
o
r
e
pri
n
tin
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
Dav
i
d van der Spoe
l
Fi
x
ed
b
ug 487 accor
d
ing t
o
p
r
ovided patch
.
commit
|
commitdiff
|
tree
2010-08-03
Dav
i
d van d
e
r
Spoel
Fixed do
c
umentation text acco
r
ding to bugzi
l
l
a 486
commit
|
commitdiff
|
tree
2010-08-01
David van
der Spoel
Merge bra
n
c
h
'rele
a
se
-
4-5-
p
atches
'
o
f git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
David van
d
er Spoel
Moved
pdb
2
top
.
h
f
r
o
m src/kernel to include to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
David v
a
n der
Spoel
R
enamed typename to my
_
typename in index
.
c
si
n
c
e
typename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
David van der S
p
o
el
Fixed compilati
o
n issu
e
corre
s
pond
i
ng to b
u
g 468
commit
|
commitdiff
|
tree
2010-07-13
Dav
i
d
van der Spoel
Fixed bug 466 by comm
e
nting out
t
he offe
n
ding lines
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
Davi
d
van
d
er Sp
o
e
l
Merge branch 'master'
of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-08
Dav
i
d van
d
er Spo
e
l
A
d
d
e
d
b
ondedtypes
s
ec
t
ion to r
t
p files
.
It might b
e
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
D
avid van
der
Spoel
Fixed include statements
s
u
ch tha
t
double pr
e
cision
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
D
a
v
i
d
van
d
er Spoel
Merge
b
ranch 'master' of git
.
groma
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
M
a
d
e removing pbc
n
o
n-s
t
atic
.
This affects many
a
n
a
l
ysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van
d
er Spoel
M
erge
b
r
a
nch 'mas
t
er
'
of g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
Dav
i
d van der S
p
o
el
Fixed
bu
g
http
:
/
/
b
u
gzilla
.
gromacs
.
org/show_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Da
v
i
d v
a
n
der Spoe
l
F
i
xed htt
p
://bugzill
a
.
gromacs
.
org
/
s
h
ow_bug
.
cgi?id=4
5
7
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Da
v
id van
d
er
Spo
e
l
Merge
b
ranch 'master' of git
.
g
r
omacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
Fi
x
ed
bug in b-f
a
ctors
out
p
ut by g_confr
m
s
.
Th
e
y were
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
avid van der Spoel
Ad
d
ed missing
a
r
g
ume
n
t
step to t
r
ott
e
r_
u
pdate
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
a
v
i
d v
a
n der Spoel
Merge
b
ran
c
h 'mas
t
er
'
of
git
.
g
r
omacs
.
org:gr
o
mac
s
commit
|
commitdiff
|
tree
2010-06-27
Davi
d
v
a
n
der Spoe
l
Upda
t
ed
C
M
a
keLists
.
txt in ngm
x
directory to exclude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
Fixed man
y
issues reg
a
rding
to compilation with C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
D
a
v
id van der Spoel
Fixed Makefi
l
e
.
am
leading
t
o warnings
.
commit
|
commitdiff
|
tree
2010-06-14
David
van der
Spoel
Fi
x
ed ma
k
e
_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
Da
v
i
d
v
an
der Spoel
Mer
g
e branch 'mast
e
r' of git
.
g
ro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-14
Dav
i
d
v
an der Sp
o
el
Added mo
r
e
fixes in
comment texts, generously provi
d
ed
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
David van d
e
r
Spo
e
l
Fixed a lot of
s
pelling errors in comments and
documen
t
ation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David
van der Spoel
M
e
rge branch
'master' of git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-06-11
D
a
vid van der Spoel
F
ixed force fiel
d
file
s
f
o
r ATP in order
to clear bug
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Merge bran
c
h
'm
a
ste
r
' of g
i
t
.
gr
o
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d
va
n
der Spoel
M
a
d
e legend
m
ore or l
e
ss w
o
rk in
g_chi
.
Do
n
't
k
now
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Fixe
d
SEGV in g_chi as desc
r
ibed in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van
d
er Spoe
l
Adde
d
op
t
ion
-
n
opbc to g_rmsdist in order t
o
fix
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
P
e
da
n
t
ic ch
a
nge in
t
he
check whether
a fil
e
n
ame is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an d
e
r Spoel
Renamed some programs
to follow t
h
e
g_ d
o
ctrine:
luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David va
n
der Spoel
C
l
eaned up
and renamed
fi
l
es in ngmx directory to b
e
tter
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David va
n
der
S
poe
l
Renamed som
e
files i
n
a roun
d
ab
o
ut way t
o
adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
v
i
d
v
an der Spoel
Removed average
.
c, that fun
c
ti
o
nality is now i
n
g_a
n
alyze
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
i
d
van der Spoel
Fi
x
ed st
r
ange typo in gmx_d
i
h
.
c
commit
|
commitdiff
|
tree
2010-06-06
D
avid van der Spoel
M
oved war
n
i
ng
messa
g
e
i
n add
_
a
t
o
mtype to be pri
n
t
ed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
Dav
i
d van der Spoel
Made x2top (very)
sli
g
htly
functiona
l
ag
a
in
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van
d
er Spoel
Ch
a
n
g
ed error message for settl
e
p
r
oblems, suc
h
t
hat
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d van der Spoel
Added explic
i
t
ang
l
e
i
n A
C
E
decla
r
ation in
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d van der Spoel
Fixed t
y
pe in gmx
_
m
or
p
h
.
c: efTRO -> efTRX
w
hich lea
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
a
vid van der Spoel
Fixed
b
ug 3
9
6
.
In
f
a
ct it wa
s
a
l
ready
fixed p
a
rtly
.
commit
|
commitdiff
|
tree
2010-05-25
Davi
d
van der Spoel
Merge branch 'master' of git
.
g
roma
c
s
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoe
l
Added one
m
ore!
commit
|
commitdiff
|
tree
2010-05-21
David van de
r
Spo
e
l
Fixed compilation
warning
s
and removed s
p
uri
o
u
s
C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David va
n
d
er S
p
oel
Made
g
_
a
nalyze compile again, but ot
l
ink
yet
.
commit
|
commitdiff
|
tree
2010-05-19
David van der Spoe
l
M
e
rge bran
c
h 'ma
s
ter' of git
.
gr
o
macs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-19
David
v
an der Spoel
A
d
ded check in
r
e
ad_pdb
for existence of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David va
n
der Spoel
Added a cool quot
e
,
and re
m
ov
e
d
two co
m
m
a
's
in openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David va
n
der
Spoel
M
e
rge
branch 'mas
t
er' of git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-16
David van
d
er Spoel
Fixed scat
t
ering func
t
i
o
n co
d
e in g_rdf
.
A new
file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David van der Spoel
Added one
commit
|
commitdiff
|
tree
2010-04-04
Davi
d
van der
S
po
e
l
Added one
.
commit
|
commitdiff
|
tree
2010-04-04
David van der
Sp
o
el
M
e
rg
e
branc
h
'
m
aster' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Dav
i
d van der Spoel
Mer
g
e
branch 'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
David van d
e
r Spoel
A
d
ded flush a
f
ter wri
t
ing t
o
debug
fil
e
commit
|
commitdiff
|
tree
2010-02-14
David va
n
der Spoe
l
Added function
t
o increase the arr
a
y s
i
zes in a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
D
avid van der Spoel
Re
p
laced some
s
trcpy by strncpy to avoid over
f
l
o
ws
.
commit
|
commitdiff
|
tree
2010-02-06
David van der Spoel
R
e
p
laced t
w
o strcpy by strncpy in pdbio
.
c t
o
pre
v
ent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David van der Spoel
Changed at
o
mnu
m
ber for OS
(opls_179
,
opls_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David v
a
n
der Spoel
M
e
rge branch 'master'
of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-07
David
v
an der Spoel
Updat
e
d
commit
|
commitdiff
|
tree
2009-12-01
Dav
i
d va
n
der
Spoe
l
Added include/vmdio
.
h to th
e
insta
l
lable headers
d
u
e
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van der
S
p
oel
A
d
d
ed check
for chdir return value
.
commit
|
commitdiff
|
tree
2009-11-10
D
a
v
id
van der Spoel
Added
2
!!!
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoe
l
Added
a
lo
t
of help text
commit
|
commitdiff
|
tree
2009-09-18
Dav
i
d va
n
d
e
r
Spoel
Re
m
oved confusing --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Merge
b
r
a
nch 'master'
of git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-09-18
Da
v
i
d
van der Spoel
Adde
d
funct
i
onality
t
o cha
n
ge di
r
ecto
r
ies and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
D
avid van der Spoel
Fixed compilation
issue
.
commit
|
commitdiff
|
tree
2009-09-15
D
avid
van der Spoel
Made regul
a
r histogram for g_clustiz
e
to represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David
van
der
Spo
e
l
Merge
branc
h
'mas
t
er' o
f
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoel
Made s
t
atistics work
w
i
th only 1 data point
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id van der Spoel
Merge branch 'ma
s
t
e
r' of gi
t
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van de
r
Spoel
Made
t
hre
a
d stuff optional
commit
|
commitdiff
|
tree
2009-08-27
D
a
v
id
v
an de
r
Spoel
Added mi
s
sin
g
filename
commit
|
commitdiff
|
tree
2009-08-26
D
a
vid van der Spoel
M
ade compila
b
le again
commit
|
commitdiff
|
tree
2009-07-19
David
v
an der Spoel
R
e
m
o
ved
d
oub
l
es
commit
|
commitdiff
|
tree
2009-07-10
David van de
r
S
p
o
el
Merge bra
n
ch
'master' of git@git
.
g
r
omacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Fixed erroneous checks for N
U
LL p
o
inters
.
commit
|
commitdiff
|
tree