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Removed gmx_membed from cmake files as well.
2010-09-17
Da
v
id van der
S
p
oel
Removed gm
x
_memb
e
d
f
rom
cmake files a
s
well
.
commit
|
commitdiff
|
tree
2010-09-16
David v
a
n der Spoel
Me
r
ge branch
'releas
e
-4-
5
-patches'
commit
|
commitdiff
|
tree
2010-09-16
David va
n
der Spoel
Corrected
n
ame of on
e
of the de
v
e
l
opers listed
i
n header
.
commit
|
commitdiff
|
tree
2010-09-14
Davi
d
van der Sp
o
el
Merge branch 'r
e
lease-4-5-patches'
commit
|
commitdiff
|
tree
2010-09-14
D
avid van der Spo
e
l
Fix
e
d bug 5
5
3
by c
h
ecking wh
e
ther
a
n
ato
m
name is
longer
.
.
.
commit
|
commitdiff
|
tree
2010-09-12
Dav
i
d van der Spo
e
l
Fixed d
e
mo
to work with new pdb2gmx that requires tw
o
.
.
.
commit
|
commitdiff
|
tree
2010-08-30
D
avid van der Spoel
Disabled compilation of g_membed fo
r
the time being
.
commit
|
commitdiff
|
tree
2010-08-30
D
a
v
id van
der
Spoel
Mer
g
e branch 'release-4-5-patches'
commit
|
commitdiff
|
tree
2010-08-30
D
a
vid van d
e
r Spoel
Add
e
d one quote
.
commit
|
commitdiff
|
tree
2010-08-25
D
avid van d
e
r Spoel
Fixed compil
a
tion of th
e
se r
e
solve
d
c
onflict
s
as we
l
l
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
David van der Sp
o
el
f
ixed confli
c
ts
.
commit
|
commitdiff
|
tree
2010-08-25
D
a
vid
va
n
der Spoel
Merg
e
branch 'release-4-5-pat
c
hes'
commit
|
commitdiff
|
tree
2010-08-25
David van der Spoel
M
a
de ge
n
restr -constr to p
r
od
u
ce
con
s
tr
a
i
nts of type
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
D
avi
d
van der Spoel
Mer
g
e branch 'release
-
4-5-p
a
tches'
commit
|
commitdiff
|
tree
2010-08-22
David van
d
er Spoel
Fixed bug 417
.
commit
|
commitdiff
|
tree
2010-08-19
Davi
d
van d
e
r S
p
oel
F
i
xes more misery i
n
function skipstr,
w
h
e
re pointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
Dav
i
d van
d
e
r
Sp
o
e
l
A
d
ded two
m
issing i
n
clude fi
l
es
.
Fixed horrible c
o
din
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-16
David van der Sp
o
el
Added header fil
e
to phys
i
cs
.
c
commit
|
commitdiff
|
tree
2010-08-16
David van der Sp
o
el
Added
routines to phy
s
ics
.
c
fo
r
conve
r
ting
a
s
tri
n
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-16
David
v
an der Spoel
A
dded
a file physics
.
c with routines tha
t
convert va
l
ues
.
.
.
commit
|
commitdiff
|
tree
2010-08-11
David van d
e
r
S
poel
Added
c
o
n
s
t in hea
d
er for
th
e
split f
u
nction a
s
w
ell
.
commit
|
commitdiff
|
tree
2010-08-11
David
van der Spoel
M
a
d
e
str argument to function
split to
be of
t
ype
const
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
David v
a
n
der S
p
oel
M
e
rge bra
n
ch
'rel
e
ase-4-5-patches'
commit
|
commitdiff
|
tree
2010-08-04
David van
d
er Spoel
Fixed re
u
s
e of variable
a
s temp variable before
p
rinting
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van der Spo
e
l
M
e
rge br
a
n
c
h 'rele
a
se-4-5-patches'
commit
|
commitdiff
|
tree
2010-08-03
David van der Spoel
Fixed
b
u
g 487 acco
r
d
ing to provided pa
t
ch
.
commit
|
commitdiff
|
tree
2010-08-03
David v
a
n der
S
po
e
l
Merge
bran
c
h 'release-4-5-patches'
commit
|
commitdiff
|
tree
2010-08-03
Dav
i
d van der Spoel
Fixed d
o
c
u
mentation text a
c
c
o
rding to bugzilla
486
commit
|
commitdiff
|
tree
2010-08-01
David van
der Spoel
Merge branch 're
l
ease-4-
5
-patch
e
s' of
g
i
t
.
gro
m
acs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
David van der Spo
e
l
Moved pdb2
t
op
.
h from src/ker
n
el to include to
allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
Da
v
id
v
an der S
p
oel
Renamed typename
t
o my_typename in index
.
c since typename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
D
a
vid van der S
p
oe
l
Fixe
d
compilati
o
n i
s
sue corresponding to bug 4
6
8
commit
|
commitdiff
|
tree
2010-07-13
D
a
vid van der Spoel
Fixed
bug 466 by comm
e
nting out th
e
offending lines
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David van der Spo
e
l
Merge branch 'master' of git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-07-08
Da
v
i
d
van der
Spoel
Added bonded
t
ypes section to rtp f
i
les
.
It might be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
D
avid van der
S
p
oel
Fixed
include statem
e
nts
such that double
p
recision
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van der
Spoel
M
erg
e
b
ranc
h
'master
'
of git
.
gromacs
.
org:gro
m
a
c
s
commit
|
commitdiff
|
tree
2010-07-02
David van
der Spoe
l
Made
r
emoving p
b
c non-static
.
This a
f
f
e
cts man
y
analysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van d
e
r S
p
oe
l
Me
r
ge branch 'ma
s
ter' of gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
David van
der S
p
oel
F
i
xed bug h
t
tp:/
/
bugzi
l
la
.
gromacs
.
o
r
g
/
s
h
o
w
_
bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Dav
i
d v
a
n
d
e
r S
p
oel
Fixed h
t
t
p
://bugzilla
.
gromacs
.
org/show_bug
.
cgi?id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
D
a
v
id van der Spoel
Merge branch 'master' of git
.
gromac
s
.
o
rg:gro
m
ac
s
commit
|
commitdiff
|
tree
2010-06-30
Da
v
id van de
r
Spoel
Fix
e
d bug in
b
-fact
o
rs outpu
t
by g_confrms
.
They
w
ere
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
avid van der Spoel
Added
m
issin
g
a
r
gument step
t
o
trotter_update
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
a
vid v
a
n der
S
poe
l
Merge branch 'mas
t
e
r
' of git
.
g
romacs
.
o
rg:
g
romacs
commit
|
commitdiff
|
tree
2010-06-27
Dav
i
d v
a
n der Spoel
Updat
e
d CMakeLists
.
txt
i
n ngm
x
d
i
r
e
ctory to exclude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
Da
v
id van der Spoel
Fix
e
d m
a
ny issues regardi
n
g t
o
comp
i
lati
o
n w
i
th C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
David van der Spoel
Fixed Make
f
ile
.
am leading to warnings
.
commit
|
commitdiff
|
tree
2010-06-14
David van der Spoel
Fixed make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van der
Spoel
Merge b
r
anch 'master'
o
f
git
.
g
r
omacs
.
org:
g
ro
m
acs
commit
|
commitdiff
|
tree
2010-06-14
Davi
d
van der Spoel
Adde
d
more
fixes
i
n
commen
t
texts, genero
u
sly provided
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
a
vid van der Spoel
Fixe
d
a lot of s
p
elling errors in comments
and d
o
cu
m
entation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David van
d
er
S
po
e
l
Merge b
r
anc
h
'mast
e
r' of g
i
t
.
g
rom
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-11
David van
der S
p
o
el
Fixed force f
i
e
ld
f
iles for
A
TP
i
n order to cl
e
a
r bug
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van der Spo
e
l
Merg
e
branch
'
master' of
g
it
.
grom
a
c
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-06-10
David va
n
de
r
S
poe
l
Ma
d
e legend
more or less work
i
n
g
_ch
i
.
Don't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Fixed
SEGV in g_chi
a
s described in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
v
id van
der
S
poel
A
d
ded op
t
ion
-
nopbc t
o
g_rmsdist in
o
rder to fix
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van d
e
r
Spoel
P
edanti
c
c
h
an
g
e in the check
w
h
e
ther
a fil
e
n
ame is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Sp
o
el
Renamed some programs to follow the g_
doctrine: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van
der Spoel
Cleaned up
a
nd
renamed files in ngmx di
r
ectory to
bette
r
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van de
r
Spoel
Rena
m
e
d
some files in a round
a
bout way
t
o
adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
avid
van der Spoel
Rem
o
ved avera
g
e
.
c, that functional
i
ty is now in g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
David van der
S
poel
F
i
x
ed strange typo in gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
Dav
i
d
v
a
n der Spoel
Moved warni
n
g
message in add_atomtype to be pr
i
nted
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David van d
e
r Spoe
l
Made x2top (very) sl
i
g
htly functi
o
nal
a
g
a
in
.
St
i
ll
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
a
vid van de
r
Spoel
Chang
e
d
error mess
a
g
e
for set
t
le problems, such that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
van d
e
r Spoel
Added
e
xplic
i
t angle in
A
C
E declar
a
tion in
g
rom
a
cs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
v
a
n
der Spoel
Fi
x
ed type in g
m
x
_
m
o
r
p
h
.
c:
e
f
TR
O
-> efTRX whic
h
l
ead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David va
n
der
S
poel
Fixed bug 396
.
In
fact
it was already f
i
xe
d
pa
r
t
l
y
.
commit
|
commitdiff
|
tree
2010-05-25
David v
a
n der
Spoel
Merge
b
ranch '
m
aster
'
of g
i
t
.
gro
m
acs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoel
Ad
d
e
d
one more!
commit
|
commitdiff
|
tree
2010-05-21
Dav
i
d van der
S
poe
l
Fixed compil
a
tion warnings and remov
e
d s
p
urio
u
s
C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
Dav
i
d
v
an
d
e
r
S
poel
Made g_
a
nal
y
ze c
o
mpile again
,
but ot link yet
.
commit
|
commitdiff
|
tree
2010-05-19
David
v
an
de
r
Spoel
Merge
bran
c
h
'master' o
f
g
i
t
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-19
David
van der Spoel
Added check i
n
read_
p
db
f
or existence of
t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van der Spoel
A
d
ded a cool quote, and removed t
w
o comma's in open
m
p
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David va
n
der Spoel
Merge br
a
nch
'master' of git
.
gromac
s
.
org
:
gro
m
a
c
s
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Fixed scatteri
n
g function code in g_rd
f
.
A new file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
D
a
vid va
n
d
er Spoel
Added one
commit
|
commitdiff
|
tree
2010-04-04
David
v
an der Spoel
A
dded one
.
commit
|
commitdiff
|
tree
2010-04-04
David van de
r
Sp
o
e
l
Merg
e
branch
'
mast
e
r
'
of gi
t
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
David van
d
er Spoel
Merg
e
branc
h
'
m
a
s
ter' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Da
v
id van d
e
r
S
p
oel
Added flus
h
after w
r
iting to
d
e
b
u
g
file
commit
|
commitdiff
|
tree
2010-02-14
David van
d
er S
p
oel
A
dded f
u
ncti
o
n
to increase the arr
a
y size
s
in a t_atom
s
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David van der Spoel
Replaced s
o
me strcpy by str
n
cp
y
to avoid overflows
.
commit
|
commitdiff
|
tree
2010-02-06
Davi
d
van de
r
Spoel
R
e
p
l
aced t
w
o strcpy by strncpy in pd
b
io
.
c to prevent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David van de
r
Spoel
Chan
g
ed atom
n
umber f
o
r
OS (op
l
s_179, opl
s
_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David
van de
r
Spoel
M
e
rge br
a
nch 'mas
t
er' of g
i
t
.
groma
c
s
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-12-07
Dav
i
d
van
d
er Spoe
l
U
pdated
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
Added
i
nclude/vmdio
.
h to t
h
e installable h
e
a
d
ers due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
Da
v
id
van der Spoel
Added
chec
k
for chdir return value
.
commit
|
commitdiff
|
tree
2009-11-10
Da
v
id van der Sp
o
e
l
Add
e
d 2!!!
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Added
a
lot of help text
commit
|
commitdiff
|
tree
2009-09-18
D
a
v
i
d
van der Sp
o
el
Removed
confu
s
i
ng --disable-n
i
ce
commit
|
commitdiff
|
tree
2009-09-18
David
van der Spoel
Merge branch 'mas
t
er'
of g
i
t
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
David van d
e
r Spoel
Added
func
t
i
onalit
y
t
o change di
r
ectories and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Fixed com
p
ilation issue
.
commit
|
commitdiff
|
tree
2009-09-15
Davi
d
v
a
n de
r
Spoel
Made regula
r
hist
o
gra
m
for
g_clust
i
z
e
to repr
e
s
e
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van der Spo
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l
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rge branch 'master' of git
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gromacs
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org:gr
o
macs
commit
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