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New entry
2011-04-04
David van der
S
poel
New entry
commit
|
commitdiff
|
tree
2011-01-22
David van der Spoel
F
i
xed bu
g
678 which was due to c
a
lling gmx
_
f
atal
w
it
h
o
ut
.
.
.
commit
|
commitdiff
|
tree
2010-12-23
David van d
e
r Sp
o
el
Fixed bug in stat
i
stics
w
hich di
d
not allow fitti
n
g
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
D
a
vid v
a
n
d
er
Spoel
Merge branch 're
l
ea
s
e-4
-
5-patche
s
' of g
i
t
.
grom
a
cs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
D
a
v
id
v
a
n der Spoel
Added 1 q
u
ote
.
commit
|
commitdiff
|
tree
2010-11-28
David
va
n
der Spoel
Fixed
bugzilla 616 a
b
out formatti
n
g in t
h
e
help text
.
commit
|
commitdiff
|
tree
2010-11-18
David van der Spoel
Ma
d
e pr
i
nting in check_multi_
i
nit cond
i
t
ional, depen
d
ing
.
.
.
commit
|
commitdiff
|
tree
2010-10-28
David van der Spoel
Merge bran
c
h 'release-4-
5
-patch
e
s' of git
.
g
romac
s
.
o
r
g
.
.
.
commit
|
commitdiff
|
tree
2010-10-08
David van der Spoel
Merge
b
r
a
nch 'r
e
l
e
a
s
e-4-5-patches' of
g
i
t
.
gromacs
.
o
r
g
.
.
.
commit
|
commitdiff
|
tree
2010-09-28
David van der Spo
e
l
Re-added g
_
kinetics to src/tools/M
a
kefile
.
am
commit
|
commitdiff
|
tree
2010-09-24
Dav
i
d van
der
Spoe
l
Updated to r
e
fle
c
t bug 557
.
commit
|
commitdiff
|
tree
2010-09-16
D
avid van der Spoel
Corre
c
t
e
d name of one of
t
he developers
list
e
d in header
.
commit
|
commitdiff
|
tree
2010-09-14
D
a
v
i
d van
d
er Spoel
F
ixed bug 553 by
checking wh
e
ther an atom name is
l
ong
e
r
.
.
.
commit
|
commitdiff
|
tree
2010-09-12
David van der Spoel
Fi
x
ed demo
to work wi
t
h new
p
db2gmx that
r
equi
r
es two
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
David van der Spoel
Made genrestr -co
n
str t
o
produc
e
c
o
n
str
a
ints of type
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
D
avid va
n
der Spo
e
l
F
ixed bug 417
.
commit
|
commitdiff
|
tree
2010-08-19
David van der
Spoel
F
ixes
more misery in
f
unct
i
on s
k
i
pstr,
w
here
poi
n
ters
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
David va
n
der Spo
e
l
Added two missing
i
n
c
lud
e
file
s
.
Fixed horrible co
d
ing
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
David van
der
Spoel
Fixed reuse of variable as
t
emp varia
b
l
e
befo
r
e printing
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van de
r
Spoel
Fixed bu
g
487 according to provide
d
p
a
tch
.
commit
|
commitdiff
|
tree
2010-08-03
David van der Sp
o
e
l
Fixed documentati
o
n
t
e
xt acco
r
ding
t
o bug
z
illa 486
commit
|
commitdiff
|
tree
2010-08-01
David van der Spoel
Merge br
a
nch 'rele
a
se-4-5-patches'
o
f
g
it
.
gro
m
acs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
D
a
vid van der Spoel
M
oved pd
b
2t
o
p
.
h
f
ro
m
src/kernel to incl
u
d
e
to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
David van der Spoel
R
e
named typena
m
e
t
o my_type
n
a
m
e in ind
e
x
.
c since typename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
David
van
d
er Spoel
F
i
xed compilation
i
ssue corresp
o
nding to bug 468
commit
|
commitdiff
|
tree
2010-07-13
David van d
e
r
S
poel
Fixed bug 466
b
y
co
m
me
n
ting out t
h
e
offending l
i
nes
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David van der S
p
oel
Merge branch 'master' o
f
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-08
David van der Spoel
Added bond
e
dt
y
pes sec
t
ion to rtp files
.
It m
i
ght be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
David v
a
n
d
e
r
S
p
o
el
Fi
x
ed
i
nclude s
t
at
e
ments suc
h
that double
p
reci
s
ion
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Merge branc
h
'ma
s
ter' of gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
David van
der Sp
o
el
Made r
e
m
ovin
g
pbc non-static
.
This
a
ffe
c
ts many analysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
D
avid van der
Spoel
Merge branch 'master'
of git
.
grom
a
cs
.
org:
g
rom
a
cs
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Fixed bu
g
http
:
//bu
g
zil
l
a
.
gromacs
.
org/sh
o
w_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Da
v
id v
a
n
der
Sp
o
el
Fixed http://bugzill
a
.
gromacs
.
o
rg/sh
o
w_
b
ug
.
c
g
i?id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Dav
i
d van der Spoel
M
erge
b
ranch 'ma
s
ter' of git
.
gr
o
macs
.
org
:
g
romacs
commit
|
commitdiff
|
tree
2010-06-30
Da
v
i
d van der Spoel
Fi
x
ed bug in
b
-factors output
b
y g
_
confrms
.
They we
r
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David v
a
n der Spo
e
l
Added m
i
ssing argument step to trotter_u
p
date
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David
v
an d
e
r
Spoel
Me
r
ge branch 'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-27
Dav
i
d van der Spoel
Updat
e
d
C
MakeL
i
sts
.
tx
t
in ngmx director
y
t
o
exclude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David
van
d
e
r Spoel
Fixed many
issues rega
r
ding to
co
m
pilation with C
+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
Davi
d
van der Spoel
Fixed Makef
i
le
.
a
m
leadin
g
to
w
arn
i
ngs
.
commit
|
commitdiff
|
tree
2010-06-14
David v
a
n d
e
r Spoe
l
F
ixed m
a
ke_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
Davi
d
va
n
der Spoel
Merge branch 'master'
o
f git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-14
Da
v
i
d
van der Spoel
Add
e
d m
o
re fixes in comment t
e
x
t
s, gen
e
rousl
y
p
r
ovide
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
David v
a
n der
Sp
o
el
Fixed
a lot of
spelling errors in
comments and docum
e
ntation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David
v
an de
r
Spo
e
l
Merge branch 'master'
of git
.
g
romacs
.
org:g
r
om
a
cs
commit
|
commitdiff
|
tree
2010-06-11
D
avid van
d
e
r
Spoel
Fixed fo
r
c
e field f
i
les for ATP
in order t
o
clear bug
commit
|
commitdiff
|
tree
2010-06-10
David van der
S
poel
Merge
b
ranch 'master' of git
.
g
roma
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van
d
e
r Spoel
Made legend
more or less work in
g_ch
i
.
Don
'
t
know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id
van der Spoel
Fixed
S
EGV in g_
c
hi as
described in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an der Spoel
Added option -nopbc to g_rmsdist in order to
f
i
x
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van der Spoel
P
e
dantic chang
e
in the
check whether a
filename is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van de
r
Spoel
Ren
a
med
s
om
e
prog
r
ams to fo
l
low t
h
e g_ doctrine
:
luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
avi
d
van der Spo
e
l
Cleaned up and renamed files in ngmx directory to
b
etter
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er Sp
o
el
Rename
d
some f
i
le
s
in a roundabout way to adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van der Spo
e
l
Removed average
.
c, t
h
a
t
functionali
t
y
i
s
n
o
w in g_analy
z
e
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van der Spoel
Fixed
s
tran
g
e typo in
g
mx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David van der S
p
oel
Moved war
n
ing
m
e
s
sage in a
d
d
_atomtype to be
p
r
i
nted
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
D
av
i
d van
der
S
poel
Made x2top (
v
ery)
s
lightly
functi
o
nal again
.
St
i
ll
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
va
n
der Spoel
Changed error message
for s
e
t
tle
problems,
s
u
ch th
a
t
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David v
a
n der
S
poel
Ad
d
ed exp
l
ic
i
t angle in AC
E
decl
a
r
ation in gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoel
Fixed type in
g
mx
_
morph
.
c: e
f
TRO -> efTRX which lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
av
i
d van der Spoel
F
i
xed bug 396
.
In fact it was alrea
d
y
f
i
xed p
a
rtly
.
commit
|
commitdiff
|
tree
2010-05-25
Davi
d
van der Spoel
Merge branch '
m
ast
e
r' o
f
git
.
gromac
s
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-05-25
D
av
i
d van der Spoel
Added o
n
e more!
commit
|
commitdiff
|
tree
2010-05-21
David
van d
e
r Spoel
Fix
e
d compilation warnings
a
n
d remove
d
s
p
urious C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David van der
S
poel
Made g_analyze compile again, but ot link yet
.
commit
|
commitdiff
|
tree
2010-05-19
Dav
i
d
v
an der
S
poel
M
e
r
g
e br
a
nch 'master'
of git
.
grom
a
cs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-05-19
David
v
an der Sp
o
el
Added
chec
k
in
r
ead_pdb
for existence of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
D
a
vid van der
S
poel
Added a co
o
l
quote, and removed
t
wo co
m
ma's in ope
n
mp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Merge branch 'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Fixe
d
scatte
r
in
g
function cod
e
in g
_
rd
f
.
A new file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
D
a
vid van
d
er Sp
o
el
Added one
commit
|
commitdiff
|
tree
2010-04-04
David van
d
er
S
poel
Added one
.
commit
|
commitdiff
|
tree
2010-04-04
Da
v
id van der Sp
o
e
l
Merge branch 'master'
o
f git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-03-12
David van
d
er S
p
oel
Merge branch 'master'
of
git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-12
Dav
i
d van der Sp
o
el
Added
f
lush
after
wr
i
ting to d
e
bug fil
e
commit
|
commitdiff
|
tree
2010-02-14
David van der Spoel
Added function to increase the
a
rray sizes in a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
D
av
i
d van der
Spoe
l
Replace
d
some strcpy by strnc
p
y to avoid o
v
er
f
low
s
.
commit
|
commitdiff
|
tree
2010-02-06
Da
v
id van der
S
poel
Replac
e
d two st
r
cpy by
strncp
y
in pdbio
.
c
to
p
reve
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David van der Sp
o
el
C
h
anged at
o
mnumbe
r
for
O
S
(
o
pls_179, opls_1
8
0)
t
o 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
D
avid van der Spoel
M
e
rge branch 'master
'
of git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-12-07
David van der
Spoel
Upda
t
ed
commit
|
commitdiff
|
tree
2009-12-01
Da
v
i
d
van der Spoel
Added
i
nclude/
v
mdio
.
h t
o
the
i
nstallable head
e
rs due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van der Spoel
Added check for
c
hdir ret
u
rn va
l
ue
.
commit
|
commitdiff
|
tree
2009-11-10
Da
v
id van der Sp
o
el
Added 2!!!
commit
|
commitdiff
|
tree
2009-09-18
David van der S
p
oel
Adde
d
a lo
t
of help text
commit
|
commitdiff
|
tree
2009-09-18
Dav
i
d van d
e
r Spoel
Removed confusing
--dis
a
ble-nice
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id van
der
S
poel
Merge bra
n
ch 'master' of git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
David
v
an der Sp
o
e
l
A
d
ded f
u
nctionali
t
y to
c
hange d
i
rector
i
es and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
D
avid van der Spoel
Fixed co
m
pilation issue
.
commit
|
commitdiff
|
tree
2009-09-15
Da
v
id va
n
der Spoel
Made r
e
gular h
i
stogram for
g_
c
lustize to repre
s
en
t
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoel
Merg
e
br
a
nch 'maste
r
' of
git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-14
D
a
v
id v
a
n
der S
p
oel
Made sta
t
is
t
ics work with
o
nly 1 data point
commit
|
commitdiff
|
tree
2009-08-27
D
a
vi
d
van der Sp
o
el
Merge branch 'master
'
o
f git
.
groma
c
s
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-08-27
David va
n
d
er Sp
o
el
Mad
e
thread
stuff optional
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoel
Added missing f
i
lename
commit
|
commitdiff
|
tree
2009-08-26
David van de
r
Spoel
Made compilable ag
a
in
commit
|
commitdiff
|
tree
2009-07-19
David van der
S
poel
Removed
d
oubl
e
s
commit
|
commitdiff
|
tree
2009-07-10
D
av
i
d va
n
der S
p
oel
Merge branch
'master'
o
f
git
@
git
.
g
r
omacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
next