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Fixed force field files for ATP in order to clear bug
2010-06-11
David
van der Spoel
F
i
x
e
d
f
o
rce field
f
ile
s
for ATP
in order to clear bug
commit
|
commitdiff
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tree
2010-06-10
Da
v
i
d van de
r
Spoel
Merge branch 'master' of gi
t
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-10
David
van
der
Sp
o
e
l
Made legend mor
e
or less work
i
n g_c
h
i
.
D
on't kno
w
.
.
.
commit
|
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|
tree
2010-06-10
Da
v
id
van
d
er
Spoel
Fixed SEGV
i
n g_chi
a
s d
e
scribed
in b
u
g 4
3
0
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
v
id van der Sp
o
el
Added option -nop
b
c
t
o g_rmsdist in order
t
o fix
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|
commitdiff
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tree
2010-06-10
David
v
an der
Spoel
Pe
d
an
t
ic chang
e
i
n
the check whe
t
her a filenam
e
is
.
.
.
commit
|
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|
tree
2010-06-10
David van der Spoel
R
enamed s
o
me pro
g
rams to follow
the g_
d
octrin
e
:
luck
.
.
.
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|
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|
tree
2010-06-10
David van
d
e
r
Spoel
Cle
a
ned up and renamed f
i
les in ng
m
x d
i
rectory to better
.
.
.
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|
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|
tree
2010-06-10
D
avid va
n
der Spoel
Renamed som
e
f
i
l
es in a roundabout way to
a
dh
e
r
e to
.
.
.
commit
|
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tree
2010-06-10
David van der Spoel
Removed average
.
c, that f
u
nctionality is now in g_
a
na
l
yze
.
commit
|
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|
tree
2010-06-10
David va
n
der Spoel
F
i
xed s
t
range typo in
g
mx_dih
.
c
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|
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|
tree
2010-06-06
David van der Spoe
l
M
oved warn
i
ng mess
a
ge in add_a
t
om
t
y
p
e
t
o be printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David van de
r
Spo
e
l
Made x2
t
op (v
e
ry) slightly functio
n
al again
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van
d
er S
p
o
e
l
C
h
a
n
g
ed e
r
ror m
e
s
sage fo
r
settle proble
m
s,
s
uch
t
hat
.
.
.
commit
|
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|
tree
2010-06-02
D
avid van
der Sp
o
el
Added
explicit
angl
e
in AC
E
declaration in gromac
s
.
.
.
commit
|
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|
tree
2010-06-02
Dav
i
d van der Spoel
Fixed ty
p
e in
g
mx_
m
or
p
h
.
c
: efTRO -> e
f
TRX which lead
.
.
.
commit
|
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|
tree
2010-06-02
David van der Spo
e
l
Fixed
b
ug
396
.
In fact it was
alre
a
dy fixed partly
.
commit
|
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|
tree
2010-05-25
David van
d
er Spo
e
l
Merge br
a
nch 'master
'
o
f g
i
t
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-25
David van der S
p
oel
Added
one
m
or
e
!
commit
|
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|
tree
2010-05-21
David v
a
n d
e
r Sp
o
e
l
Fixed compilation warnings a
n
d remove
d
s
pu
r
io
u
s C+
.
.
.
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|
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|
tree
2010-05-20
David van
d
er Sp
o
el
Made g_analyze compile again, but ot link yet
.
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|
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2010-05-19
David van
d
er Spoel
Merge br
a
nch
'
m
ast
e
r
'
o
f
git
.
gro
m
acs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-05-19
David van
der Sp
o
e
l
Added che
c
k in re
a
d_pd
b
for existence of t
_
res
i
nfo
.
.
.
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|
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|
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2010-05-18
David van der Sp
o
el
Adde
d
a
c
o
o
l
quote, and
r
emoved two co
m
ma's in openmp
.
.
.
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|
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|
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2010-05-16
David van der Spoe
l
Merge branch
'master' of gi
t
.
gromacs
.
org:gr
o
macs
commit
|
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|
tree
2010-05-16
David van der Spoel
Fixed scat
t
ering
function code in g_rdf
.
A new
file
.
.
.
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|
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|
tree
2010-04-30
David
van d
e
r Spoel
Added o
n
e
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|
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|
tree
2010-04-04
David van der S
p
o
e
l
Added on
e
.
commit
|
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|
tree
2010-04-04
David van der Spoel
M
e
rg
e
bran
c
h
'
m
a
s
t
e
r' o
f
git
.
gromacs
.
or
g
:gr
o
macs
commit
|
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|
tree
2010-03-12
Dav
i
d van der Spoe
l
Merge branch 'master' of git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-03-12
David van der
Spoel
Added
fl
u
sh
a
f
ter
w
r
it
i
n
g
to de
b
ug fi
l
e
commit
|
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|
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2010-02-14
D
a
v
id van der Spoel
Added function to inc
r
ease the array sizes in a
t
_atoms
.
.
.
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|
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|
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2010-02-13
David van der Spoel
Replace
d
some strc
p
y by strnc
p
y to avoid overflows
.
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|
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|
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2010-02-06
David van der Spoel
Rep
l
aced two strcpy
b
y strncpy in pdbio
.
c to pr
e
vent
.
.
.
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|
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|
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2009-12-14
Dav
i
d
van der Spoel
Ch
a
nged
atomnumbe
r
for OS (opls_179, opls_180) to 8
.
.
.
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|
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|
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2009-12-07
Da
v
id va
n
de
r
S
poel
Merg
e
branch 'master' of gi
t
.
gromacs
.
o
r
g:gromacs
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|
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|
tree
2009-12-07
David van der Spoel
Upda
t
ed
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|
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|
tree
2009-12-01
David
van de
r
Spoel
Add
e
d includ
e
/vmd
i
o
.
h to the installable heade
r
s due
.
.
.
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|
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|
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2009-11-15
David va
n
d
er Spoel
Add
e
d chec
k
for
c
hd
i
r return va
l
ue
.
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|
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|
tree
2009-11-10
D
avid van d
e
r Spoel
Add
e
d 2!
!
!
commit
|
commitdiff
|
tree
2009-09-18
David van der
Spoel
Ad
d
ed a
lot
of he
l
p text
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|
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|
tree
2009-09-18
Davi
d
van der Spoel
Removed confusing --disable-nice
commit
|
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|
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2009-09-18
David va
n
der Spoe
l
M
erge bran
c
h 'master' of git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-09-18
David
v
a
n de
r
S
p
oel
A
d
d
e
d
functionality
t
o change directories
a
nd
b
ack
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id
van der S
p
o
el
F
ixed
compilation issue
.
commit
|
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|
tree
2009-09-15
David van d
e
r Spoel
M
a
d
e
regular histog
r
am for g_clustize to rep
r
es
e
nt
.
.
.
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|
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|
tree
2009-09-14
David
v
an
d
er
S
poel
Merge
bra
n
c
h
'
master' of git
.
gro
m
acs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-09-14
D
a
v
i
d van der Spoel
Made
st
a
t
istics work with only 1 data poi
n
t
commit
|
commitdiff
|
tree
2009-08-27
D
avid van der Spoel
Merge
b
ranch
'
mas
t
er
'
of git
.
gromacs
.
org:gromac
s
commit
|
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|
tree
2009-08-27
David van der Spoe
l
Made thread stuff optiona
l
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|
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|
tree
2009-08-27
David van der Spoel
Adde
d
missi
n
g f
i
lename
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|
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|
tree
2009-08-26
Dav
i
d van d
e
r Spoel
Made compilab
l
e aga
i
n
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|
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|
tree
2009-07-19
David van der Sp
o
el
Removed doubles
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|
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|
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2009-07-10
D
a
vid v
a
n der Spoel
M
erge branch 'master' of gi
t
@gi
t
.
grom
a
cs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-07-10
Davi
d
v
an der S
p
oel
F
i
x
ed
e
r
roneous checks fo
r
NULL poi
n
ters
.
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|
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|
tree