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Made genrestr -constr to produce constraints of type 2 that do not generate
2010-08-25
D
a
vi
d
van der S
p
oel
Made genrestr -constr to produce constraint
s
of type
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
David va
n
der
S
poel
F
i
xed bug
4
17
.
commit
|
commitdiff
|
tree
2010-08-19
D
a
vid van der Spoel
Fixes more misery
i
n fun
c
tion skipstr,
w
here pointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
David
van d
e
r Spoel
A
d
d
ed
two missing inclu
d
e
f
ile
s
.
F
i
xed horrible c
o
d
ing
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
Da
v
id van
d
er Spoel
F
i
xed reuse of variab
l
e as
te
m
p variable befo
r
e pr
i
n
t
i
ng
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van der S
p
oel
Fix
e
d bug
487
a
ccordi
n
g to prov
i
ded
pa
t
ch
.
commit
|
commitdiff
|
tree
2010-08-03
David van der Spoel
F
ixed documentation
text accordi
n
g to bugzilla 4
8
6
commit
|
commitdiff
|
tree
2010-08-01
David van der Spoe
l
Me
r
ge b
r
anch 'release-4-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
Da
v
id va
n
de
r
Sp
o
el
Moved pdb2top
.
h f
r
om src/
k
e
rnel
to
include to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
D
a
vid
va
n
d
er S
p
o
e
l
Renamed typ
e
name to
m
y
_typename in index
.
c since typename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
Da
v
id
v
an
d
e
r Spoel
Fix
e
d compilation
i
ssu
e
cor
r
espo
n
ding
t
o bug
468
commit
|
commitdiff
|
tree
2010-07-13
David van der Spoel
Fixed bug
4
66 by commenti
n
g
out the offe
n
ding lin
e
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
D
avid van der
Spoel
Merg
e
branch 'master' of
g
it
.
gromacs
.
org:gro
m
ac
s
commit
|
commitdiff
|
tree
2010-07-08
David van der
S
p
o
e
l
Added
bondedtypes section to
r
tp files
.
It might
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
David van
der Spoel
F
i
xed include
s
tatements such t
h
at double pr
e
c
i
s
i
on
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Merge
branch 'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
David van
d
er Sp
o
e
l
Made removing pbc non-sta
t
ic
.
T
h
is affects
m
any analy
s
i
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Da
v
id v
a
n der Spoel
Merge branch 'master' of g
i
t
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-07-02
David van
der Spoel
Fi
x
ed bug http
:
/
/bugzilla
.
g
r
omacs
.
org
/
show_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
D
avid
van der
Spoel
Fixed http://bugzilla
.
grom
a
cs
.
or
g
/show_bug
.
cgi?id=4
5
7
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
Merge
bra
n
c
h
'
mas
t
er' o
f
g
it
.
g
r
omacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-30
Davi
d
van der Sp
o
el
Fixe
d
bug in
b
-factor
s
output by
g
_
confrms
.
T
h
ey we
r
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David
van der Spoel
A
d
ded mis
s
ing arg
u
ment step to t
r
otter_update
.
H
o
w
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
M
e
rge bra
n
ch 'master' o
f
git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
Updated CMakeList
s
.
txt in ngmx directory to exclud
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
a
vid v
a
n der Spoel
Fix
e
d ma
n
y issu
e
s regarding t
o
co
m
pilation wi
t
h C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
Dav
i
d
v
a
n
de
r
Spoel
Fixed
Makefile
.
am l
e
ading to warnings
.
commit
|
commitdiff
|
tree
2010-06-14
D
avid van
d
e
r
Spoel
Fixed ma
k
e_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
Da
v
id van der S
p
oel
Merge branch 'master'
o
f git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-14
David van de
r
Spoel
Added
more fixes in co
m
ment texts,
generously provided
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
a
vid van der Spoel
Fixed a lot
of s
p
ellin
g
erro
r
s
in comme
n
ts and documentatio
n
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
Davi
d
van
der
Spoel
Merge branch 'master' of g
i
t
.
gromacs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-11
David van der Spoel
Fixed force f
i
eld files f
o
r ATP i
n
o
r
der
to clear bug
commit
|
commitdiff
|
tree
2010-06-10
David van der
S
poel
Merge branch
'mast
e
r' of git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David van der S
p
oel
Mad
e
l
egend more
o
r less work in g_chi
.
Don't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Fixed S
E
GV in g_chi as described
i
n bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Sp
o
el
Add
e
d option
-
nopbc to g
_
rmsdist in
order to fix
commit
|
commitdiff
|
tree
2010-06-10
D
avid van der
Spoel
Pe
d
a
n
ti
c
change in the check wh
e
t
h
er a file
n
a
m
e is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Renamed
some programs
to follow the g_ doc
t
r
i
n
e: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Cleaned up and renamed files in ngmx directory
to bet
t
er
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d
van der
S
p
o
e
l
Renam
e
d som
e
files in
a
roundabout wa
y
to adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Removed
a
verage
.
c, that functionali
t
y is now in g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er Spoel
Fixed strange typo
i
n gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David van der
Spoe
l
M
o
v
e
d warning message in
a
dd_atomtype to be print
e
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David v
a
n der
S
poel
Made x2top (very)
slig
h
tly f
u
nctional
agai
n
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoel
Cha
n
ged error mes
s
age f
o
r settl
e
problems, such that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
id van
d
er Spoel
Add
e
d
explici
t
angle
in
ACE declaration in gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David
van der Spo
e
l
F
i
xe
d
typ
e
in gmx_morph
.
c: efTRO ->
e
fTRX
which l
e
a
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
avid
v
a
n der Spo
e
l
Fixed bug 396
.
In
f
act it was a
l
r
e
ady fixed partly
.
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoel
M
e
rg
e
branch 'master
'
of git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-25
Da
v
id
v
an der Spoel
Added one more!
commit
|
commitdiff
|
tree
2010-05-21
David van der Spoel
F
ixed co
m
pilation warn
i
ngs and removed spurious C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David van der Spoel
Made g_
a
nalyze
c
ompil
e
again, but ot li
n
k
yet
.
commit
|
commitdiff
|
tree
2010-05-19
David
v
an der Spoel
M
e
r
g
e branch 'master'
of
g
it
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-05-19
David van der
S
poel
Ad
d
ed
c
heck in read_p
d
b for e
x
istenc
e
of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van der Spoel
Added a cool q
u
ote, and removed two comma
'
s in open
m
p
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
D
avid van
d
er Spoe
l
Merg
e
bran
c
h 'ma
s
ter' of git
.
gromac
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-16
David van der S
p
oel
Fixed s
c
attering functio
n
code in g_rdf
.
A new file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David van der Spoel
Added one
commit
|
commitdiff
|
tree
2010-04-04
David van der Spoel
Added on
e
.
commit
|
commitdiff
|
tree
2010-04-04
David va
n
d
er Spoel
Merge br
a
nch 'master' of gi
t
.
gro
m
ac
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-12
David van der Spoe
l
M
erge branch 'm
a
ster'
o
f git
.
gromacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2010-03-12
D
a
v
i
d van d
e
r Spoel
Added
f
l
ush aft
e
r
writing to debug file
commit
|
commitdiff
|
tree
2010-02-14
David van der Spoel
A
d
ded function
t
o
increase the array sizes in a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David v
a
n der
S
poel
Rep
l
aced some strcpy b
y
strncpy to
a
void
overflow
s
.
commit
|
commitdiff
|
tree
2010-02-06
Dav
i
d van der
S
p
oel
Replaced two str
c
py by
s
trncpy
i
n
pdbio
.
c to prev
e
nt
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
Dav
i
d van de
r
Spoel
Changed atomnumber for OS (opls_179, opls_180) to
8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
D
a
v
id van der
S
poel
M
erge br
a
nc
h
'master' of git
.
gr
o
macs
.
org:gr
o
ma
c
s
commit
|
commitdiff
|
tree
2009-12-07
D
a
vid van der Spoel
Updat
e
d
commit
|
commitdiff
|
tree
2009-12-01
David van d
e
r Spoe
l
Add
e
d
include/vmdio
.
h to
the inst
a
ll
a
ble headers due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
Dav
i
d
v
an der Spoel
A
d
ded check for
c
h
d
ir return value
.
commit
|
commitdiff
|
tree
2009-11-10
David van der Spoe
l
Added 2!!!
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
van der
Spoel
Added a lot of hel
p
t
e
xt
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id v
a
n der
S
poel
Removed
c
onfusing --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid van
d
er
Spoel
Me
r
ge branch 'master' of git
.
gromacs
.
or
g
:
g
romacs
commit
|
commitdiff
|
tree
2009-09-18
D
a
v
id van der
S
poel
A
d
ded function
a
l
i
t
y to chan
g
e direc
t
o
r
ies and ba
c
k
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David
van de
r
Spoel
Fix
e
d compilation issue
.
commit
|
commitdiff
|
tree
2009-09-15
D
a
vid van de
r
Spoel
Made regu
l
ar his
t
ogram for g_clu
s
tize to represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David
v
a
n
der Spoel
M
erge branc
h
'master' of git
.
gromacs
.
org
:
g
r
omacs
commit
|
commitdiff
|
tree
2009-09-14
David van
der Spoel
Made
s
tatistics
w
or
k
wit
h
only 1 da
t
a point
commit
|
commitdiff
|
tree
2009-08-27
David van
d
er
S
poel
Merge branch 'm
a
s
t
er' of
g
it
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
D
a
vid
v
an der Spoel
M
a
de thread st
u
ff op
t
iona
l
commit
|
commitdiff
|
tree
2009-08-27
David van der
Spoel
Added missing filename
commit
|
commitdiff
|
tree
2009-08-26
Dav
i
d van der Spoel
Made co
m
pil
a
ble
again
commit
|
commitdiff
|
tree
2009-07-19
David
van
der Spoel
Removed doubles
commit
|
commitdiff
|
tree
2009-07-10
David van der Sp
o
el
Merge branch 'master' of git@gi
t
.
g
r
omacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-07-10
David v
a
n der Spo
e
l
Fi
x
e
d
e
rroneo
u
s
c
heck
s
for
NUL
L
p
o
int
e
rs
.
commit
|
commitdiff
|
tree