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Updated source for Van der Waals radii.
2010-06-14
D
avid van
de
r
Spoel
Added more fixes in
c
o
mment t
e
xts,
generousl
y
p
ro
v
i
ded
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
Davi
d
van de
r
Sp
o
el
Fixed a
l
ot of spelli
n
g errors in c
o
mments a
n
d
d
ocumen
t
ation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David van der Spoe
l
Merge
b
ranch 'master
'
o
f git
.
g
r
om
a
cs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-11
D
a
vid
van der Spoel
Fixed force field files for AT
P
in
order to cle
a
r
bug
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d v
a
n der Spo
e
l
Merge
b
ranch
'
m
aste
r
' of git
.
gr
o
macs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-10
D
avid van der Spoel
Made legend more or less work in g_chi
.
Don't
k
now
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an der Spoel
Fixed SEGV in g_chi as desc
r
ibed in
b
ug 430
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van der Spoel
Added op
t
io
n
-nopbc to g_rmsdist in order
to fix
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Pedantic chang
e
in
t
he check wh
e
ther a fi
l
ename is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
v
an der Spoe
l
Renamed some
p
ro
g
rams to follow the
g
_
d
o
ctr
i
ne: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n
der Spoel
Cleaned up
a
nd
renamed file
s
i
n
ng
m
x directory to better
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n der Spoel
Rename
d
some files i
n
a roundabout
w
ay to adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Remove
d
average
.
c
,
that
functiona
l
it
y
i
s now
in g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id van de
r
S
p
oel
Fi
x
ed
s
t
range t
y
p
o in gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
D
avid van der
S
p
oel
Moved warni
n
g message in add_atomtype to be printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David van d
e
r Spoel
Ma
d
e x2top (very)
s
lightly fun
c
tional
a
gain
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
avi
d
van der Spoel
Chan
g
ed
e
rror m
e
ss
a
ge
f
or settle
pr
o
blems, such
t
h
a
t
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d van der Spoel
Added explicit angle in ACE declaration in gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoe
l
Fi
x
ed ty
p
e in gmx_mor
p
h
.
c: efTRO
-> efTRX
which
l
e
a
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van
de
r
Spoel
Fix
e
d b
u
g
396
.
In fact it was already
fi
x
ed pa
r
tly
.
commit
|
commitdiff
|
tree
2010-05-25
D
a
vid van der Spoel
Merge branc
h
'
mast
e
r' of git
.
groma
c
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-25
D
av
i
d
van d
e
r
S
poel
Ad
d
ed one more!
commit
|
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|
tree
2010-05-21
David v
a
n der Spoel
Fixed compi
l
ation warnin
g
s and rem
o
ved spurious
C
+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
D
a
v
i
d v
a
n
d
er Spoel
M
a
de g_analyze comp
i
le again, but ot link yet
.
commit
|
commitdiff
|
tree
2010-05-19
David van der
S
poel
Merge branch 'maste
r
' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-19
D
a
vid van der Spoel
Adde
d
check in read_pdb for existen
c
e of t_r
e
sinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
D
a
vid va
n
d
e
r Spoel
Added a cool
q
u
o
te
,
and r
e
moved two comma's in op
e
nmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Merge branc
h
'
ma
s
ter' of git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-16
Dav
i
d
v
an
der Spoel
Fixed s
c
a
t
ter
i
ng function code in g_rdf
.
A new f
i
l
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
D
a
vid van der Spoel
Add
e
d
one
commit
|
commitdiff
|
tree
2010-04-04
David van der
S
po
e
l
Added one
.
commit
|
commitdiff
|
tree
2010-04-04
Davi
d
van der Spoel
M
erge
branch 'master' of git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-03-12
David va
n
der Spoel
Merge b
r
anch 'master'
o
f
git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-03-12
D
a
vid
v
an der Spoel
Added
fl
u
sh aft
e
r writing to deb
u
g
file
commit
|
commitdiff
|
tree
2010-02-14
Davi
d
van der
S
poe
l
Added function to increase the arra
y
sizes in a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
D
a
vid va
n
d
e
r S
p
oe
l
Re
p
l
aced some strcpy by
s
trncpy to
a
void overflows
.
commit
|
commitdiff
|
tree
2010-02-06
D
a
vid
v
an
d
er Spoel
Rep
l
aced two strcpy by strn
c
py in pdbi
o
.
c to preve
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David van der Spoel
Cha
n
g
ed ato
m
number for O
S
(opls_179
,
opls
_
18
0
) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David v
a
n der Spoe
l
M
e
rge bran
c
h 'master' of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-07
D
avid van der Spoel
Updated
commit
|
commitdiff
|
tree
2009-12-01
David van
d
er Spo
e
l
Added inclu
d
e
/
vmdi
o
.
h to the installa
b
l
e
h
ead
e
rs
due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van
d
er Spoel
Ad
d
e
d
c
h
eck for chdir return value
.
commit
|
commitdiff
|
tree
2009-11-10
Dav
i
d va
n
d
er Spoel
Added 2!!!
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id van der
Spoel
Ad
d
e
d
a lot o
f
help text
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid van der Sp
o
el
Rem
o
ved co
n
fusing --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
D
a
v
id
v
an der
Spoe
l
M
e
r
ge br
a
n
c
h 'master' of git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-09-18
David van de
r
Spoel
Add
e
d functionality to
c
hange
d
irectories and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id
v
an der Spoel
Fi
x
ed compilation iss
u
e
.
commit
|
commitdiff
|
tree
2009-09-15
Davi
d
van d
e
r S
p
oel
Made
r
egular histogram f
o
r g_clustize
to represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van
d
e
r Spoel
Merge
b
ranch 'maste
r
'
of git
.
gromacs
.
org:gro
m
a
c
s
commit
|
commitdiff
|
tree
2009-09-14
D
avid
v
an der Spoel
Ma
d
e statistics
w
o
rk with
only 1 da
t
a poin
t
commit
|
commitdiff
|
tree
2009-08-27
David
v
an der Spoel
Merge branch
'mast
e
r' of git
.
g
r
omacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-08-27
Dav
i
d van der
S
p
oel
Made thread stuff
o
ptional
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoel
Added missi
n
g filena
m
e
commit
|
commitdiff
|
tree
2009-08-26
David van der Spoel
Mad
e
compilable again
commit
|
commitdiff
|
tree
2009-07-19
David va
n
der Spoel
Rem
o
ved
doubl
e
s
commit
|
commitdiff
|
tree
2009-07-10
David
van der Spoel
Merge br
a
nch '
m
aster' of git@
g
it
.
gromacs
.
o
rg:gr
o
macs
commit
|
commitdiff
|
tree
2009-07-10
D
avi
d
van
der Spo
e
l
Fixed er
r
o
n
eous checks fo
r
NULL poi
n
ters
.
commit
|
commitdiff
|
tree