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Merge branch 'master' of git.gromacs.org:gromacs
2010-06-27
D
avid van der Spo
e
l
Merge branch 'master' o
f
git
.
gromacs
.
or
g
:gromac
s
commit
|
commitdiff
|
tree
2010-06-27
D
a
vid
van
d
er Spoel
U
p
dated CMa
k
eLists
.
txt in ngmx direct
o
r
y t
o
exclude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
Dav
i
d va
n
d
er Spoel
Fi
x
ed many issues
r
egarding to
compila
t
ion with
C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
David
va
n
der Spo
e
l
Fixe
d
M
a
kefi
l
e
.
am leading to w
a
rnings
.
commit
|
commitdiff
|
tree
2010-06-14
David van der S
p
o
el
F
i
xed make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van
d
e
r Spoe
l
Merge branch 'm
a
s
ter'
of git
.
gromacs
.
or
g
:gr
o
macs
commit
|
commitdiff
|
tree
2010-06-14
Davi
d
van der Spoel
Adde
d
more
f
ixe
s
in comment
t
e
xt
s
, gen
e
r
o
u
sly provided
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
a
vid
van der S
p
oel
Fixed
a
lot of spell
i
ng
e
r
r
ors in com
m
en
t
s and d
o
cumentation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David van d
e
r Spoel
Merge bra
n
c
h
'mas
t
e
r
' of git
.
gromacs
.
o
r
g
:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-11
Dav
i
d van der
S
poel
F
i
xed forc
e
field files for A
T
P in order to
c
lear
bug
commit
|
commitdiff
|
tree
2010-06-10
David van
de
r
Spoel
Merge bra
n
ch
'
master'
o
f git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David
va
n
d
er Spoel
Made legend more or less
w
o
rk i
n
g_ch
i
.
Do
n
't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
v
i
d
van de
r
Spoel
F
i
xed
SEGV i
n
g_chi as descri
b
ed in bug
4
30
.
commit
|
commitdiff
|
tree
2010-06-10
David
van der Sp
o
el
A
d
ded
o
ption -nopbc to g_rm
s
dist
i
n order to fi
x
commit
|
commitdiff
|
tree
2010-06-10
D
avid van der Spoel
P
edantic ch
a
nge in
t
he check
whether a filename
i
s
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an d
e
r
S
p
o
e
l
Renamed some programs to follow th
e
g
_
doc
t
rine
:
luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
avid
v
an der Spoe
l
Cleaned up and renamed fil
e
s in ngm
x
dir
e
cto
r
y to better
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Renamed some files in a r
o
u
n
dab
o
ut wa
y
to a
d
here to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n der Spoel
R
e
moved average
.
c
,
th
a
t func
t
io
n
ality
i
s
now in g_analy
z
e
.
commit
|
commitdiff
|
tree
2010-06-10
David
va
n
der Spoel
Fixed strange typo in gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
D
avid
v
an der Spoel
Moved war
n
i
n
g
message
i
n add_atomtype to be
p
r
in
t
ed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
D
avi
d
van de
r
Spoel
Made x2to
p
(ve
r
y) slightly f
u
ncti
o
nal again
.
S
till
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoel
Change
d
err
o
r message
for sett
l
e probl
e
ms, s
u
ch that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
a
vid van de
r
Spoel
Added ex
p
li
c
it angl
e
in ACE
d
e
clara
t
ion in
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spo
e
l
Fixed
t
yp
e
in gmx
_
mor
p
h
.
c: e
f
TRO
-
> efTRX
which lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David
v
an de
r
Spoel
Fixe
d
b
u
g 396
.
In fa
c
t it wa
s
already fixed partly
.
commit
|
commitdiff
|
tree
2010-05-25
Davi
d
van der Spoel
Mer
g
e
branch 'master' of git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-25
D
a
vid
van d
e
r
Spoel
Added one more!
commit
|
commitdiff
|
tree
2010-05-21
Da
v
id van der Spo
e
l
F
ixed compilation warnings and
r
em
o
ved spurious
C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
Davi
d
v
a
n der Spoel
M
a
d
e g_
a
nalyz
e
c
ompile ag
a
in, but ot link yet
.
commit
|
commitdiff
|
tree
2010-05-19
D
a
v
id van der
Spoel
M
erge branch 'ma
s
ter' of
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
David van
d
er
Spoe
l
Added
c
hec
k
i
n read_pdb for e
x
istence of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
D
avid van der Spoel
Added a cool q
u
ote, a
n
d removed
two com
m
a's in openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der
Spoel
Merge br
a
nch
'
master'
o
f
git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-05-16
Dav
i
d van
der Sp
o
el
F
i
x
e
d sc
a
t
t
e
r
ing function code i
n
g_rdf
.
A new file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
D
avi
d
van der Spoel
Added one
commit
|
commitdiff
|
tree
2010-04-04
D
a
vid van der Spoel
A
d
ded one
.
commit
|
commitdiff
|
tree
2010-04-04
D
a
vid van der Spoel
Merge bran
c
h 'master' o
f
git
.
gromacs
.
org:gr
o
ma
c
s
commit
|
commitdiff
|
tree
2010-03-12
Davi
d
van der
Spoel
Mer
g
e br
a
n
ch '
m
aster' of g
i
t
.
gr
o
ma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
David
van de
r
Spoel
A
d
ded flus
h
after writing to debug file
commit
|
commitdiff
|
tree
2010-02-14
David van der Spoel
Added
f
unctio
n
to in
c
re
a
se the array sizes in
a
t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
D
a
vid van der Spoel
R
e
p
laced
some strcpy by
strncpy to avoid ove
r
flows
.
commit
|
commitdiff
|
tree
2010-02-06
Dav
i
d van der Sp
o
e
l
Repl
a
ced two strcpy
by strncpy in pdbio
.
c
to prevent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David va
n
der Spoel
Changed atom
n
umber for O
S
(
o
pls_179,
opls_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David van
d
er Spo
e
l
Merge
b
ranc
h
'master' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-12-07
David van de
r
Spoel
U
pd
a
t
e
d
commit
|
commitdiff
|
tree
2009-12-01
Da
v
id va
n
der Spoel
Add
e
d include/vmdio
.
h to the
inst
a
l
lable headers due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
D
a
vid van
der Spo
e
l
Added check for chdir retu
r
n v
a
lue
.
commit
|
commitdiff
|
tree
2009-11-10
David
v
an
der
S
poe
l
Added 2!!!
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid va
n
d
e
r Spo
e
l
Added a lot of help
t
ext
commit
|
commitdiff
|
tree
2009-09-18
David van
der Sp
o
el
Removed
c
o
nfus
i
ng --d
i
s
a
ble-nice
commit
|
commitdiff
|
tree
2009-09-18
David v
a
n der
Spo
e
l
Merge branch 'maste
r
' of git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-09-18
David van de
r
Spoel
Added functiona
l
ity
to chan
g
e direc
t
ories an
d
bac
k
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Dav
i
d van der
S
poel
Fixed
c
o
mpila
t
i
on issue
.
commit
|
commitdiff
|
tree
2009-09-15
David v
a
n der Spoel
Made regular hi
s
togram for g_clust
i
z
e to rep
r
esen
t
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
Dav
i
d van der Spoel
M
e
rge branch 'master' of
git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoel
Made statistics w
o
rk with on
l
y
1 data point
commit
|
commitdiff
|
tree
2009-08-27
David van der
S
poel
Me
r
ge branch 'mas
t
er' of git
.
gromacs
.
org:g
r
oma
c
s
commit
|
commitdiff
|
tree
2009-08-27
Davi
d
van
der Spoe
l
Ma
d
e thread stuff option
a
l
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id
van der S
p
o
el
Added
m
issing
f
i
l
e
n
am
e
commit
|
commitdiff
|
tree
2009-08-26
David va
n
der Spoel
Made com
p
ilable
a
gain
commit
|
commitdiff
|
tree
2009-07-19
David van der Spoel
Rem
o
ved doubles
commit
|
commitdiff
|
tree
2009-07-10
D
a
vid van der Spoel
Merge
b
ranch 'mas
t
e
r
' of git@git
.
gr
o
macs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
F
i
xed erroneous checks for NULL pointers
.
commit
|
commitdiff
|
tree