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 1 analysis tool manual.
2011-04-04
David van der Spoel
A
d
ded 1 analysis tool manual
.
commit
|
commitdiff
|
tree
2011-04-04
David van de
r
S
poel
Merge branch
'
relea
s
e-4-5-patches' into orderparm
commit
|
commitdiff
|
tree
2011-04-04
David van der Spoel
Lates
t
f
ixes from
B
jorn Steen
S
ae
t
hre
commit
|
commitdiff
|
tree
2011-03-24
David van der Spoe
l
Add
e
d
Bj
o
rn's code,
i
mpleme
n
te
d
running
av
e
rage filtering
.
commit
|
commitdiff
|
tree
2011-03-05
D
a
vid van der S
p
oel
M
e
r
ge bra
n
ch
'
relea
s
e-4-5-
p
a
tches'
o
f
g
it@g
i
t
.
grom
a
c
s
.
.
.
commit
|
commitdiff
|
tree
2011-03-05
David
van der Spoel
Fixed S
E
GV in enecon
v
when using the -e flag
.
commit
|
commitdiff
|
tree
2011-01-30
David van de
r
Spoel
Fix
e
d more PBC and in
d
ex
i
ng stuff
.
commit
|
commitdiff
|
tree
2011-01-30
Da
v
id
v
a
n der S
p
oe
l
Fi
x
ed
t
y
po
.
commit
|
commitdiff
|
tree
2011-01-30
David
van der Spoel
Mer
g
e branch 'release-
4
-5-patches'
into or
d
erpar
m
commit
|
commitdiff
|
tree
2011-01-29
David van
d
er Spoel
Me
r
g
e branch 'release-4-
5
-patches' of git@git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2011-01-29
David van der Spoel
Ad
d
e
d code
in g_nmeig to compute the quantum correct
i
o
n
s
.
.
.
commit
|
commitdiff
|
tree
2011-01-26
David van der Spoel
Mer
g
e branch 'release-4-
5
-patches' of git@git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-12-26
David
van
der Spoel
Merge b
r
anch 'relea
s
e
-
4
-
5-pat
c
h
e
s'
of git@git
.
grom
a
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-12-25
Davi
d
van der Spoel
Ad
d
ed
warning in g_dip
o
les
commit
|
commitdiff
|
tree
2010-12-09
David van d
e
r S
p
oel
Added fa
t
al error for when peop
l
e use energy fil
e
s
.
.
.
commit
|
commitdiff
|
tree
2010-11-26
David
v
an der Spoe
l
Fixed SEGV bug in g_sham
.
commit
|
commitdiff
|
tree
2010-11-02
Dav
i
d van der Spoel
Fixed bug 608 b
y
thr
o
wing a fa
t
a
l er
r
or in
g
r
ompp
.
commit
|
commitdiff
|
tree
2010-10-07
David van d
e
r
Spoel
Fi
x
ed compilation issues
with C9
9
compat
i
bi
l
ity
.
commit
|
commitdiff
|
tree
2010-10-07
D
avid van d
e
r Spoel
Fixes
a
n
d
small additions t
o
g
_w
h
am, due to J
o
chen
.
.
.
commit
|
commitdiff
|
tree
2010-09-25
Da
v
id
van d
e
r Spoel
Added sof
t
ware
-
rela
t
ed quote
commit
|
commitdiff
|
tree
2010-09-20
D
a
vid
v
an der Spoel
Merge branch 'rele
a
se-
4
-5-
p
a
tches' of git@git
.
gro
m
acs
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
D
avid van der Sp
o
el
F
i
xed bug http:
/
/b
u
gzilla
.
gromacs
.
o
rg/show_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
David
van der Spoel
F
ixed bug 467 realti
n
g to pdb2gmx
output of the
w
ater
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
David van
d
e
r Spoel
Add
e
d citation fo
r
sc
a
ttering
f
actors
.
U
se
d
in g_rd
f
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
Da
v
id van der
S
p
o
el
Adde
d
more atoms
t
o the scatte
r
ing fact
o
r
d
at
a
fi
l
e
.
commit
|
commitdiff
|
tree
2010-07-12
Da
v
id van
der
Spoel
Merge branch 'mas
t
e
r
'
of
g
it@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-07-12
David van der Spoel
A
d
d
ed initialization of pbc struct in genborn
.
c
.
commit
|
commitdiff
|
tree
2010-07-09
David van d
e
r Sp
o
el
A
dded initialization of pbc structure before
calc_gb_forc
e
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-07
D
a
vid van der Sp
o
el
Fixe
d
miserable bug in co
m
m
r
ec
.
h wher
e
an
i
n
t
a
rray
.
.
.
commit
|
commitdiff
|
tree
2010-07-06
D
avi
d
v
a
n de
r
Spoel
Fi
x
ed bug in gmx_sumf_
c
om
m
where a double array was
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der
Spoel
Inc
r
eased
b
uffer size for reading in a wh
o
le file at
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
Dav
i
d van
der S
p
oel
Added mu
l
ti regress
i
on analysis to g_analyze
.
See info
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
Da
v
id van
d
er Spo
e
l
Fixed compilation issue in g
e
minat
e
.
c due to non-defined
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der
S
p
oel
Me
r
ge bran
c
h 'ma
s
t
er'
o
f git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-02
David van der
Spoel
Merge branc
h
'
m
aster' of gi
t
@git
.
grom
a
cs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-04-12
D
avid van der Sp
o
e
l
Merg
e
branch 'mas
t
er' of g
i
t@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-12
David van der
S
p
oel
C
h
a
nged the outpu
t
of
t
opology
f
ile
s
to include the
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
David va
n
der Spoel
M
erge branch 'mast
e
r' of
git@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Davi
d
van
d
er Spoel
Added sta
t
e
m
ent to s
e
t rtp to NULL
.
commit
|
commitdiff
|
tree
2010-04-06
Dav
i
d
v
a
n
der Spoel
R
e
vert "Added
argument r
t
pname
t
o t_at
o
ms_set_res
i
nfo
.
.
.
commit
|
commitdiff
|
tree
2010-03-10
D
a
vid
v
an der Spoel
M
er
g
e
bran
c
h
'm
a
ster' of git
@
git
.
gromac
s
.
org:g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-03-10
David van der Spoel
Added routine add_t_atoms to i
n
c
rease the length of
.
.
.
commit
|
commitdiff
|
tree
2010-02-15
Davi
d
van der Spoel
U
p
dated
commit
|
commitdiff
|
tree
2010-02-09
David v
a
n der Spoel
Merge branch 'master'
of
g
it@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-02-09
David van der Spoel
Adde
d
a
n empty line to shar
e
/html/
M
akefil
e
.
am to fool
.
.
.
commit
|
commitdiff
|
tree
2010-02-06
David v
a
n
der Spoel
Fixed htmldi
r
stuff
.
commit
|
commitdiff
|
tree
2010-02-03
D
a
vid van
d
er Spoel
Remove
d
FF
.
dat fro
m
share/t
o
p/Makefile
.
am
commit
|
commitdiff
|
tree
2010-01-31
David van
d
e
r
Spoel
Me
r
ge bra
n
ch 'master'
of git@git
.
groma
c
s
.
or
g
:grom
a
cs
commit
|
commitdiff
|
tree
2010-01-31
D
a
v
id van der S
p
oel
Added file
t
ype
.
cu
b
f
o
r
Gaussia
n
cube
f
iles
.
commit
|
commitdiff
|
tree
2010-01-28
Dav
i
d
van
d
er Spoel
Merge br
a
nch
'
master' of git@git
.
gromacs
.
or
g
:g
r
omacs
commit
|
commitdiff
|
tree
2010-01-28
David van
d
er Spoel
Adde
d
-nconstr option to g_energy in
o
rder
to get cor
r
e
c
t
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
David van der Spoel
R
e
named
f
unctio
n
in call to l
o
w_gmxlibfn
commit
|
commitdiff
|
tree
2010-01-23
David van der Spoel
Added a quote
.
commit
|
commitdiff
|
tree
2010-01-22
D
a
vid
van
der Spoel
M
e
r
ge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-22
David van der Sp
o
el
Added mi
s
s
i
n
g initiation
statements in
a
t
omprop following
.
.
.
commit
|
commitdiff
|
tree
2010-01-22
Da
v
id van
de
r
Spoel
Merg
e
bra
n
ch 'master'
of git@git
.
gr
o
m
acs
.
or
g
:groma
c
s
commit
|
commitdiff
|
tree
2010-01-22
David van der Spoe
l
F
i
x
e
d a
t
o
m
prop such
that i
t
(again)
o
nly reads the
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van der Spoel
Fixed com
m
ent
fo
r
g_ene
r
gy -h
a
s
w
ell
.
commit
|
commitdiff
|
tree
2010-01-21
D
avid van der
Spoel
Fixed e
r
roneous implementat
i
on
of calculation of Cp
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van der Sp
o
el
Mad
e
programs less
v
e
r
b
ose about atomprops an
d
about
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van der Spoel
F
i
x
e
d help output in g_energy such that the
fluctuation
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
av
i
d van der Spoel
Merge branch
'
master'
o
f git@git
.
gro
m
acs
.
or
g
:g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-01-21
Dav
i
d
van der Spo
e
l
Added pro
p
er fluctua
t
ion
o
u
t
p
ut to g_energ
y
.
N
o
w we
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
avid van der
S
p
oel
Merge branch 'maste
r
' of git
@
git
.
gromacs
.
org:g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-01-19
David van der Spo
e
l
M
e
rg
e
branch 'master' of git@gi
t
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-21
David va
n
der Spoe
l
M
erge branch 'maste
r
' of git@g
i
t
.
gromacs
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2009-12-14
David
v
an der Spoel
Mer
g
e branch 'master' of git@git
.
grom
a
c
s
.
org:gr
o
m
acs
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
Mer
g
e
b
ra
n
ch 'maste
r
' of git@gi
t
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-12-01
D
a
vid van der Spoel
Merge bra
n
ch 'mas
t
er'
o
f g
i
t@g
i
t
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-30
David van d
e
r Sp
o
e
l
M
e
rg
e
branch 'master'
o
f git@
g
it
.
groma
c
s
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-11-15
David van
der Spoel
Me
r
g
e
branch 'master' of gi
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-10
D
avid van der Sp
o
e
l
Merge branch 'mas
t
er' of g
i
t@git
.
g
r
om
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-10-25
David
van der Spoel
M
e
rge branch 'm
a
ster
'
of git@git
.
gromacs
.
o
r
g
:g
r
omacs
commit
|
commitdiff
|
tree
2009-10-16
David van der Spoel
Merge branch 'mast
e
r' of git
@
git
.
g
r
omacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-09-17
David van
d
e
r
Spoel
M
e
rge bra
n
ch 'master' of git@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-09-14
D
a
v
id van
d
e
r S
p
oel
Merge branch 'master'
o
f git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-09-02
David van der Spoel
Merge
bra
n
c
h 'master' of git@git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-09-02
David van der
Spoe
l
Merge bran
c
h
'master' of
git@git
.
grom
a
cs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2009-08-31
Dav
i
d
van der Spoel
M
erge branch 'master'
o
f git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-08-27
Dav
i
d van der Spoel
Merge branch 'master
'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
D
a
v
id van der
Spoel
Added fatal error
commit
|
commitdiff
|
tree
2009-08-27
David van d
e
r
Sp
o
e
l
Made output spacie
r
commit
|
commitdiff
|
tree
2009-08-11
D
avid
van der Spoe
l
Merge branch
'
master' of
g
it@git
.
g
r
o
m
a
cs
.
o
rg:gr
o
macs
commit
|
commitdiff
|
tree
2009-08-11
David
van der Spoel
Fixe
d
a couple of thi
n
gs related to ne
w
re
s
idu
e
number
i
ng
.
commit
|
commitdiff
|
tree
2009-08-04
Da
v
id van d
e
r Spoel
Fixed i j bbug
.
commit
|
commitdiff
|
tree
2009-08-04
David van der Spoe
l
Added ex
t
ra out
p
u
t
commit
|
commitdiff
|
tree
2009-08-04
David van der Spo
e
l
Merg
e
branch 'master' of git@git
.
gr
o
ma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-04
David van der S
p
oe
l
F
ixed bugs
commit
|
commitdiff
|
tree
2009-07-31
Davi
d
van
der Spoel
Added comments and c
i
t
a
tion
commit
|
commitdiff
|
tree
2009-07-31
David van der Sp
o
el
R
e-ad
d
ed ehole: now in working shap
e
commit
|
commitdiff
|
tree