repo.or.cz
/
gromacs
/
rigid-bodies.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Added g_hydorder.1 man page.
2011-04-10
D
avi
d
van der Spoel
Added g_hydord
e
r
.
1 man page
.
commit
|
commitdiff
|
tree
2011-04-06
David van der Spoel
Fixed
h
e
a
der for gmx
_
conect_init
commit
|
commitdiff
|
tree
2011-04-04
David van
d
e
r Spoel
New entry
commit
|
commitdiff
|
tree
2011-01-22
Da
v
id van der Spoel
Fix
e
d
bug 678 which was
due to cal
l
ing
g
m
x_fata
l
without
.
.
.
commit
|
commitdiff
|
tree
2010-12-23
David
van der Spoel
F
i
xed
b
ug in s
t
atistics which did not allow fitting
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
D
a
v
id van
der Sp
o
e
l
Me
r
g
e
b
ranch
'rele
a
se-4-5-patches' of
git
.
gro
m
acs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-12-11
David van der Sp
o
el
Added
1
quote
.
commit
|
commitdiff
|
tree
2010-11-28
Da
v
id van der Spoel
Fixe
d
bug
z
illa 61
6
about formatting in the he
l
p text
.
commit
|
commitdiff
|
tree
2010-11-18
Da
v
i
d van der Sp
o
el
Made prin
t
i
n
g
i
n
check_mu
l
ti_in
i
t conditional,
depe
n
di
n
g
.
.
.
commit
|
commitdiff
|
tree
2010-10-28
Dav
i
d van der Spoe
l
Merge
b
r
anch 'release-4-5-patches' of git
.
g
romacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-08
David
van d
e
r
S
p
o
e
l
Merge bra
n
ch '
r
e
l
ea
s
e
-4-5-patc
h
es' of g
i
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-09-28
D
avid van der Spoel
Re-
a
dded g_kinetics to src/tools/Makefi
l
e
.
am
commit
|
commitdiff
|
tree
2010-09-24
D
avid
v
an
der S
p
oel
U
p
dated to reflect bug 55
7
.
commit
|
commitdiff
|
tree
2010-09-16
David va
n
d
er Spoel
Cor
r
ected name of one
o
f the developers liste
d
in header
.
commit
|
commitdiff
|
tree
2010-09-14
David v
a
n der
S
poe
l
Fixed
b
u
g
5
5
3 by
checkin
g
whet
h
er an atom nam
e
is lon
g
er
.
.
.
commit
|
commitdiff
|
tree
2010-09-12
David
v
a
n
d
er Spoel
Fixed demo to work with new pdb2g
m
x
th
a
t
r
e
q
uires two
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
David van der
Spoel
M
a
de genrestr -constr
t
o prod
u
ce
c
onstraints of type
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
Davi
d
van d
e
r Sp
o
el
F
ixed bug 417
.
commit
|
commitdiff
|
tree
2010-08-19
D
avid van der Spoel
F
i
xes
m
o
re mis
e
ry in function
s
kipstr, wher
e
pointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
David van de
r
Spoel
Added
t
wo missing include files
.
Fixed horrible c
o
ding
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
David
van der Spoel
Fixe
d
reuse of variable as t
e
m
p
var
i
a
ble before printing
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van
de
r
Spoel
Fixed bug
4
87 ac
c
ord
i
n
g to prov
i
ded patch
.
commit
|
commitdiff
|
tree
2010-08-03
David va
n
der Spoel
Fix
e
d do
c
umentation text ac
c
ording to bugzilla 486
commit
|
commitdiff
|
tree
2010-08-01
David va
n
d
er
Spoel
M
e
rge branch 'releas
e
-4-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
David van der Spoel
Mo
v
ed pdb2t
o
p
.
h from src/kernel
t
o i
n
clude to all
o
w
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
D
avi
d
van de
r
Spoel
Renamed typename to my_typename in i
n
dex
.
c sin
c
e
typename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
David van der S
p
o
e
l
Fi
x
ed compil
a
tion issue cor
r
es
p
onding t
o
bug 468
commit
|
commitdiff
|
tree
2010-07-13
David van
d
er Spoel
F
i
xed bu
g
466 by
c
omm
e
nting out the offe
n
ding lines
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David v
a
n
der Spoe
l
Merge branch 'master' of git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-07-08
David van der Spoel
Added
b
ondedt
y
pes sect
i
on to rtp
f
iles
.
It might be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
David van der Spo
e
l
Fixed include statements such tha
t
double
p
recision
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Dav
i
d
van der Spoel
Merge branch 'ma
s
ter' o
f
git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-07-02
David v
a
n der Spoel
Made rem
o
ving p
b
c non-s
t
atic
.
Th
i
s
affects many a
n
aly
s
is
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Dav
i
d va
n
der Spoel
Merge b
r
anc
h
'mas
t
er
'
o
f
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
David van der S
p
oel
Fixed bug http:
/
/bugzilla
.
gromacs
.
or
g
/show_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David v
a
n der
Spoel
Fixe
d
http://bugzilla
.
g
r
omacs
.
org/
s
how_bu
g
.
c
g
i
?
i
d=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
D
a
v
id va
n
der Spoel
M
e
rge
b
ranch 'master' of git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
Fi
x
ed b
u
g in b-factor
s
output by g_
c
onfrms
.
They were
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
Da
v
id van der
S
p
oel
Added missing arg
u
me
n
t step to trotter_upda
t
e
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
Davi
d
van der Spoel
Me
r
ge
bra
n
ch '
m
a
s
t
er' of
git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-27
D
avid van der Spoel
U
pdated C
M
akeLists
.
t
x
t in ngm
x
directory to exclud
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
a
vid
v
an
der Spoel
Fixed many issues reg
a
rding t
o
com
p
ilati
o
n
w
i
th C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
D
a
vid van d
e
r Spoel
Fixed Makefile
.
am le
a
ding to warnings
.
commit
|
commitdiff
|
tree
2010-06-14
David van
der Spoel
Fixed make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
Da
v
i
d
v
a
n der Spoel
Merge branch 'master' of gi
t
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-06-14
D
a
v
id van der Spoel
Added more fixes
i
n
comment tex
t
s, genero
u
sly prov
i
d
ed
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
David van der Spoel
Fixed a lo
t
of spelling errors in comme
n
t
s
and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
D
av
i
d
van der Spoel
M
erg
e
branch 'master' of git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-11
David van der Spoel
Fixed force fiel
d
file
s
for ATP in orde
r
to cl
e
ar bug
commit
|
commitdiff
|
tree
2010-06-10
David
v
an der Spoel
Merge bran
c
h '
m
aster' of
git
.
gro
m
acs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-06-10
David van de
r
Spoel
Mad
e
legend more or
l
e
s
s
work in g_c
h
i
.
Don't
know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van der Spoel
F
i
xed
S
EGV in g_chi a
s
de
s
cr
i
b
e
d in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an der Spoel
Added
opt
i
o
n
-n
o
pbc to g_rmsdis
t
in
o
rder
t
o
fix
commit
|
commitdiff
|
tree
2010-06-10
David van d
e
r Sp
o
el
Pedantic c
h
ange in the check whether a filenam
e
is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
R
e
nam
e
d some programs
t
o
f
ollow the g
_
do
c
trine: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Cl
e
ane
d
up
a
n
d
renamed fil
e
s in ngm
x
d
i
rectory to bet
t
er
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
v
id van
d
er Spoel
Re
n
amed some files in a roundabout
w
ay to adhere t
o
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spo
e
l
Removed ave
r
age
.
c, that functionality is now in g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an der S
p
oel
Fixed strange typo in
gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
Davi
d
v
an der
S
poel
Move
d
warning
message
in add_a
t
om
t
y
pe to be pr
i
nted
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
Dav
i
d van
der Spoe
l
Made x2top
(
very) slightly
f
unctional again
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d van der S
p
oel
Changed error message for sett
l
e
p
roblems, such that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van
der Spoel
Added
explicit
angle i
n
AC
E
declaration in
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
va
n
der Spoel
Fi
x
ed type in gmx_morph
.
c: efTRO -> efTRX which lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d
v
a
n der Spoel
Fixed bug
3
96
.
I
n
fact it was
a
lr
e
a
d
y
fixed pa
r
tly
.
commit
|
commitdiff
|
tree
2010-05-25
David van d
e
r
Spo
e
l
Merge bra
n
c
h
'master' of
g
it
.
gromac
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-25
D
avid van der Spoel
Added one m
o
re
!
commit
|
commitdiff
|
tree
2010-05-21
Davi
d
v
an der S
p
o
el
Fix
e
d
compi
l
atio
n
warnings and removed spurious C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David v
a
n der Spoel
Made g_analyze compile again, but ot
l
i
nk
yet
.
commit
|
commitdiff
|
tree
2010-05-19
Da
v
id van de
r
Spoel
Merge branch
'
master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
David
v
an der Spoel
A
dded check in read_pdb for e
x
istence of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David v
a
n de
r
Spoel
Added a cool
q
uo
t
e
,
and remo
v
ed two
comma'
s
in openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
D
avi
d
van der Spoel
Merge
b
ran
c
h
'master
'
of git
.
gromacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2010-05-16
David van der
Spoel
Fi
x
e
d
sc
a
ttering function c
o
d
e
i
n g_rdf
.
A
new fi
l
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
D
a
vid van der
Spoel
Added one
commit
|
commitdiff
|
tree
2010-04-04
Davi
d
van der Spoe
l
Adde
d
on
e
.
commit
|
commitdiff
|
tree
2010-04-04
David van der Spoel
Merge
bra
n
ch '
m
as
t
er'
o
f g
i
t
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-03-12
David v
a
n de
r
Sp
o
el
Merge branc
h
'
mast
e
r'
of
g
it
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Da
v
id v
a
n der Spoel
A
dded flush after
writin
g
to deb
u
g
file
commit
|
commitdiff
|
tree
2010-02-14
D
avid
v
a
n
der Spoel
Added function to increase the array si
z
es in a t
_
atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
Dav
i
d
van der Spoel
R
e
place
d
some
s
trcpy by strncpy to
a
void overflows
.
commit
|
commitdiff
|
tree
2010-02-06
Davi
d
van de
r
Spoel
Replaced tw
o
st
r
cpy by strncpy in pdb
i
o
.
c
to prevent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David va
n
der Spoel
Changed atomnumb
e
r for O
S
(opls_
1
7
9
,
opls_180)
t
o 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David van de
r
Spoel
M
e
rge bran
c
h 'mas
t
e
r
' o
f
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-07
David van der
S
poel
U
pdated
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
Added include
/
vmdio
.
h to
the installable he
a
ders due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
D
a
vid v
a
n der
Spo
e
l
Added check for chdir ret
u
r
n
va
l
ue
.
commit
|
commitdiff
|
tree
2009-11-10
Dav
i
d van der Spoel
Ad
d
ed 2!!!
commit
|
commitdiff
|
tree
2009-09-18
David van der
S
p
o
el
Adde
d
a lot of help text
commit
|
commitdiff
|
tree
2009-09-18
David v
a
n
der Spoe
l
Removed confusing --disa
b
le-n
i
ce
commit
|
commitdiff
|
tree
2009-09-18
David
v
an de
r
Spoel
M
erge bra
n
ch 'master' of
g
it
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-09-18
David
v
an
der
S
poel
Added functionality to ch
a
nge
direc
t
o
r
ies and ba
c
k
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David v
a
n der Spoel
F
i
xed comp
i
lation issue
.
commit
|
commitdiff
|
tree
2009-09-15
David van de
r
Spoel
Mad
e
regu
l
ar histogram fo
r
g_clus
t
i
ze to
repr
e
sent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
Dav
i
d
van der Spoel
Merge branch '
m
aster' o
f
g
it
.
gr
o
macs
.
o
r
g:groma
c
s
commit
|
commitdiff
|
tree
2009-09-14
David van d
e
r Spoel
Made statistics work with
only
1
data poin
t
commit
|
commitdiff
|
tree
2009-08-27
D
a
vid van der
S
poel
M
e
rge branch 'master' of git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van d
e
r Sp
o
el
M
a
de thread stuff optional
commit
|
commitdiff
|
tree
2009-08-27
David van der Sp
o
el
A
d
ded missing file
n
ame
commit
|
commitdiff
|
tree
2009-08-26
David van
d
er Spo
e
l
M
a
de compilab
l
e again
commit
|
commitdiff
|
tree
next