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Fixed documentation text according to bugzilla 486
2010-08-03
David
van der Spoel
Fixed d
o
c
umenta
t
ion text a
c
cordi
n
g to bugzi
l
la 486
commit
|
commitdiff
|
tree
2010-08-01
Davi
d
van der Spoel
Merge
b
ranch 'release-4-5-patches' of g
i
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
D
avid van d
e
r Spoel
Move
d
pdb2t
o
p
.
h
from
s
rc/ke
r
nel to incl
u
de to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
David van de
r
Spoel
R
e
n
a
m
ed
typ
e
name
t
o my
_
type
n
am
e
in in
d
ex
.
c
since typen
a
me
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
David van der Spoel
Fixed co
m
pilation issue
correspondin
g
to bug
4
6
8
commit
|
commitdiff
|
tree
2010-07-13
Davi
d
van der Spoel
Fixed bug
4
66 by commenting out the
o
ffending
li
n
es
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David van
d
er Spoel
M
e
rge branch 'master' of g
i
t
.
gr
o
macs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-07-08
David van der Spoel
Added bondedtypes section
t
o rtp fil
e
s
.
It
might be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
David van de
r
S
p
oel
Fixed includ
e
statements suc
h
that double preci
s
i
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoe
l
Merg
e
branch 'mas
t
er' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Made removi
n
g pbc non-s
t
a
t
ic
.
This a
f
fects man
y
anal
y
sis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van
d
e
r Spoel
Merge branch 'master' o
f
git
.
g
r
o
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
D
a
vi
d
van der Spoel
Fixed bug
h
t
tp://bugzil
l
a
.
gr
o
macs
.
org/sho
w
_bu
g
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoe
l
Fixed http://bugzilla
.
gr
o
macs
.
o
r
g/
s
how_bug
.
cgi?id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
M
erge
branch 'master' of
git
.
grom
a
cs
.
org
:
g
r
omacs
commit
|
commitdiff
|
tree
2010-06-30
D
a
v
id van de
r
Spo
e
l
F
ixe
d
bug in b-factors outp
u
t
b
y
g_con
f
rms
.
They were
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David va
n
de
r
S
poel
Added
m
issing argument step
t
o
t
r
o
t
t
er_
u
pdate
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der
Spoe
l
Merge branch 'maste
r
' of git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-27
David van der
S
p
o
e
l
Update
d
CMake
L
ist
s
.
txt in
ngmx dir
e
ctory t
o
excl
u
de
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David v
a
n der Spoel
Fixed many issues regarding to compilat
i
on with C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
David van der Spoe
l
Fixed Makef
i
le
.
a
m
leading to warnings
.
commit
|
commitdiff
|
tree
2010-06-14
David
v
a
n
de
r
S
p
oel
F
i
x
ed make_
e
di
.
c
commit
|
commitdiff
|
tree
2010-06-14
David
van der S
p
oel
Merge bran
c
h 'mast
e
r' of git
.
gromacs
.
o
rg:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-14
David van der
Spoel
A
d
d
ed more fixes in comment texts, generously provid
e
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
David
van der Sp
o
el
Fixed a lot of s
p
e
l
l
ing errors
i
n
c
o
mments
an
d
documentat
i
on
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David van
d
er S
p
oel
Merge b
r
an
c
h 'mas
t
er' of git
.
gr
o
m
a
cs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-06-11
David van der Spoel
Fixed force field file
s
f
or ATP in o
r
der to clear bug
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id van der
S
poel
Merge bra
n
ch 'master' of git
.
gromacs
.
o
rg:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-10
David van der
S
poe
l
Made legend more or
less wor
k
in
g
_c
h
i
.
Don't k
n
ow
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van d
e
r Spoel
F
i
xed SEGV in g_chi
as describe
d
i
n bug 43
0
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id van der Spoel
Added optio
n
-nopbc to
g
_rms
d
ist in order to fix
commit
|
commitdiff
|
tree
2010-06-10
David van der
S
p
oel
Pedantic change in the ch
e
c
k whether a filenam
e
is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der
Spoel
Renamed s
o
me
programs to
f
o
llow the
g
_
doctrine: lu
c
k
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
a
n der S
p
oel
Cleaned u
p
and renam
e
d files in ngmx direct
o
ry to bet
t
er
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der
Spoel
R
en
a
med
so
m
e
files in a roundabout
w
ay
t
o adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van d
e
r Spoel
Remo
v
ed ave
r
age
.
c, that fun
c
t
ionality is now
in g_analyz
e
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id van d
e
r Spoel
F
ix
e
d
s
t
ran
g
e typo in gm
x
_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David va
n
der Spoel
M
o
ved
warning message in add_atomtype to be printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David
v
an der Spoel
Made x2top (
v
ery) slightly
functi
o
nal a
g
ain
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David va
n
der Spoel
Cha
n
g
ed error message for settle pr
o
bl
e
ms, such that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
id van der Spoe
l
A
d
ded explicit
a
ngle in AC
E
declaration in gro
m
acs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
avid van
der Sp
o
el
Fixed type i
n
gmx_morph
.
c: efTRO
-
> efT
R
X w
h
ich lea
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoel
Fixed
bug 396
.
In fact it wa
s
alrea
d
y fixed partl
y
.
commit
|
commitdiff
|
tree
2010-05-25
Dav
i
d
van der Spo
e
l
Mer
g
e branch 'master' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoel
A
dded one more!
commit
|
commitdiff
|
tree
2010-05-21
David van der Spoel
Fi
x
ed
c
ompi
l
ati
o
n warn
i
ngs and remov
e
d
spurious C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David van der S
p
oel
Made g_anal
y
ze co
m
pile agai
n
, but ot li
n
k
y
e
t
.
commit
|
commitdiff
|
tree
2010-05-19
D
avid van der Spoel
Mer
g
e branch 'master' o
f
git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-19
David va
n
der Sp
o
el
Added check in read_pdb for exist
e
nce of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David
van der Spoel
Added a cool q
u
ote, an
d
removed t
w
o comma
'
s
in open
m
p
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
Da
v
id van der Spoel
Merge
branch 'master' o
f
git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
F
ix
e
d scatt
e
r
ing function code i
n
g_rdf
.
A n
e
w file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David van der Spoel
Added
o
n
e
commit
|
commitdiff
|
tree
2010-04-04
David van
d
er Spoel
Added one
.
commit
|
commitdiff
|
tree
2010-04-04
D
avid
van
d
er Spoel
Merge branch '
m
aster'
o
f
g
it
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Davi
d
van der Spoel
M
e
rg
e
bran
c
h 'mas
t
er' of git
.
g
r
o
m
acs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Davi
d
v
an d
e
r
S
p
o
el
Adde
d
flu
s
h after wri
t
ing
to debug file
commit
|
commitdiff
|
tree
2010-02-14
Da
v
id van
d
e
r Spoel
Added functi
o
n to inc
r
ease the
a
r
ray si
z
es in a t_atom
s
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
D
avid v
a
n der
Spoel
Replace
d
some s
t
rcp
y
by strncp
y
t
o avoi
d
o
verflo
w
s
.
commit
|
commitdiff
|
tree
2010-02-06
David v
a
n
der S
p
oel
R
e
placed tw
o
str
c
py by strncpy in
p
d
b
io
.
c t
o
preven
t
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
D
avi
d
van der Spo
e
l
Changed atomnum
b
er fo
r
O
S (opls_179, op
l
s_18
0
) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David
v
a
n d
e
r Spoel
Merge bra
n
c
h
'master'
of git
.
gro
m
ac
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-12-07
Davi
d
van der
Spoel
Updated
commit
|
commitdiff
|
tree
2009-12-01
Dav
i
d van der Spoel
Added include/vmdi
o
.
h to the
installable header
s
d
ue
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David
van der
S
p
oe
l
A
d
ded check
f
o
r chdir return value
.
commit
|
commitdiff
|
tree
2009-11-10
Dav
i
d van der
Spoel
A
dded 2!!!
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid van
d
e
r
S
poel
Ad
d
ed a
l
ot of hel
p
text
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
van der Sp
o
el
Removed confusing --dis
a
b
l
e-nice
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id v
a
n de
r
S
p
oel
Merge br
a
nch 'master' of git
.
g
r
o
m
acs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-09-18
David van d
e
r Spoel
A
dded function
a
lity to
c
hange dire
c
tories and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Fixed comp
i
la
t
i
o
n issue
.
commit
|
commitdiff
|
tree
2009-09-15
David van der Spoel
Made regular hist
o
gram for g_clusti
z
e
t
o represe
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoel
Merge bra
n
ch
'maste
r
' of
git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-09-14
David van
d
e
r Spoel
Made statistics work with
onl
y
1
data po
i
n
t
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id van der Spoel
M
e
rge bran
c
h
'
master' of git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id v
a
n der Spoel
Made thread stuff optional
commit
|
commitdiff
|
tree
2009-08-27
D
a
v
id van der Spoel
Added mi
s
sin
g
file
n
ame
commit
|
commitdiff
|
tree
2009-08-26
Da
v
i
d
van der Spoel
Made compilable again
commit
|
commitdiff
|
tree
2009-07-19
D
avid van der Spoel
Removed doubles
commit
|
commitdiff
|
tree
2009-07-10
David
v
an d
e
r
Spoel
Merge bra
n
ch 'master' of git@gi
t
.
gromacs
.
o
rg:gro
m
acs
commit
|
commitdiff
|
tree
2009-07-10
D
avid van
der
Spoel
Fixed errone
o
us checks for NULL pointers
.
commit
|
commitdiff
|
tree