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Revert "Added argument rtpname to t_atoms_set_resinfo to avoid programs crashing"
2010-04-06
D
a
v
id
v
a
n
der Spoel
Reve
r
t "Added ar
g
ument rtpname
to t_
a
t
o
ms_set_res
i
nfo
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Davi
d
van der
Spoel
Added
a
rgument rt
p
name to
t_atoms_
s
et_resinfo to avoid
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Da
v
id van
d
er Spoel
Added o
n
e
.
commit
|
commitdiff
|
tree
2010-04-04
David van de
r
Spoel
Merge bra
n
ch 'master' of git
.
gromacs
.
org
:
groma
c
s
commit
|
commitdiff
|
tree
2010-03-31
David van der Spoel
Ad
d
ed on
e
commit
|
commitdiff
|
tree
2010-03-12
Da
v
id van der Spoel
M
erge branch
'
maste
r
' of git
.
gr
o
macs
.
org:gro
m
ac
s
commit
|
commitdiff
|
tree
2010-03-12
David van d
e
r
S
p
oel
Added flush
after writing to debug file
commit
|
commitdiff
|
tree
2010-03-11
David van der
S
poel
Aded funct
i
o
n co
p
y_
t
_atoms
,
up
d
ated func
t
ion add_t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-03-10
David van der Spoel
Merge branch '
m
aster' of
git@git
.
grom
a
cs
.
o
r
g:
g
romacs
commit
|
commitdiff
|
tree
2010-03-10
David
v
an der Spo
e
l
Adde
d
routine
a
dd_t_atoms
t
o increase the len
g
th of
.
.
.
commit
|
commitdiff
|
tree
2010-02-15
Davi
d
van der Spoel
U
p
d
ated
commit
|
commitdiff
|
tree
2010-02-14
Davi
d
van der Spoel
A
dded funct
i
on to increase the array
si
z
es in a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
Davi
d
v
an de
r
Spoel
Repla
c
ed some strcpy by strncpy
to
avoid ove
r
f
lows
.
commit
|
commitdiff
|
tree
2010-02-09
David van der Spo
e
l
Merge branch 'master
'
o
f git@
g
it
.
gromac
s
.
org:
g
r
omacs
commit
|
commitdiff
|
tree
2010-02-09
Davi
d
van de
r
Spoel
Add
e
d an em
p
ty line to
s
hare/
h
tml
/
Make
f
ile
.
am to fool
.
.
.
commit
|
commitdiff
|
tree
2010-02-06
David van der
S
poel
Fixed htmldir stuff
.
commit
|
commitdiff
|
tree
2010-02-06
D
avid van der Sp
o
e
l
R
e
placed two strcpy by strnc
p
y in pdbio
.
c to
prevent
.
.
.
commit
|
commitdiff
|
tree
2010-02-05
David van der Spoel
Co
n
figure now uses th
e
-
-htmldir option
.
commit
|
commitdiff
|
tree
2010-02-05
Davi
d
van de
r
Spoel
C
o
nfigure n
o
w u
s
es th
e
--ht
m
ldir
option
.
commit
|
commitdiff
|
tree
2010-02-05
David
van der Spoel
Merge branch 'master' of git
.
gr
o
macs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-02-03
David van der Spoel
Removed FF
.
da
t
f
r
o
m share/top/Mak
e
file
.
am
commit
|
commitdiff
|
tree
2010-02-01
Dav
i
d van de
r
Spoel
Merge branch '
m
aster
'
of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-31
David van der Spoel
Merge branch 'master' of git@git
.
gr
o
m
acs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-01-31
Dav
i
d van der
Spoel
Added file t
y
pe
.
cub for Gaussian cube files
.
commit
|
commitdiff
|
tree
2010-01-28
David van der Spo
e
l
Merge bra
n
ch 'maste
r
'
o
f git@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-28
David van
d
e
r Spoel
Added -nconstr option to g_
e
nergy
in orde
r
to get
correct
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Davi
d
v
a
n der
Spoel
Renamed fun
c
t
i
o
n in
c
a
l
l to low_gmxlibfn
commit
|
commitdiff
|
tree
2010-01-28
Davi
d
v
a
n der Spoel
Added 1
.
commit
|
commitdiff
|
tree
2010-01-27
Davi
d
van der Spoel
No
w
I've added al
l
the Makef
i
le
.
am for the f
o
r
c
e fields
.
commit
|
commitdiff
|
tree
2010-01-27
Davi
d
van der Spoel
Fixed Make
f
ile
.
a
m
i
n share
/
to
p
.
Will add the
M
a
kefile
.
.
.
commit
|
commitdiff
|
tree
2010-01-26
David v
a
n
d
er
Spoel
Merge branch 'mast
e
r'
o
f
git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-26
Da
v
i
d
van de
r
Spoel
clar
i
f
ied
comm
e
nt about wat
e
r optimization
commit
|
commitdiff
|
tree
2010-01-23
D
avid van der Spoel
Added a quo
t
e
.
commit
|
commitdiff
|
tree
2010-01-22
David
van der
S
poel
Merg
e
b
r
anc
h
'mas
t
er' of git@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-01-22
David v
a
n der
S
poel
A
dde
d
mi
s
sing
i
nitiatio
n
statements in
atomprop follo
w
in
g
.
.
.
commit
|
commitdiff
|
tree
2010-01-22
Da
v
id van de
r
Spoel
M
e
r
g
e
br
a
n
ch 'master' of gi
t
@git
.
gromacs
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2010-01-22
D
a
vid van d
e
r
Sp
o
el
F
i
xed
a
tomprop such
t
hat
i
t (again)
o
nly re
a
ds
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
a
vid van
d
er Spoel
Fixed com
m
en
t
fo
r
g
_
energy -h
as well
.
commit
|
commitdiff
|
tree
2010-01-21
Davi
d
van der Spoel
Fixe
d
erroneous implementa
t
ion of calc
u
lation of Cp
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David v
a
n
d
er Spoel
Made pr
o
grams less verbose
a
b
o
ut a
t
o
m
p
r
ops
and about
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
a
v
i
d van d
e
r Spoel
F
i
xed
help output
i
n g_ene
r
gy
s
uch
t
h
at the flu
c
tuation
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
avid van
der Spoel
Merge br
a
nch 'ma
s
ter
'
o
f
git@g
i
t
.
grom
a
cs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-01-21
David van d
e
r Spo
e
l
A
dde
d
proper
f
l
u
c
tuat
i
on output
t
o
g_en
e
rgy
.
Now we
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
Davi
d
van
de
r
S
poel
Merge b
r
an
c
h 'master' of git
@
git
.
g
r
omacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-01-19
D
av
i
d van der Sp
o
e
l
M
erge
branch
'master' of g
i
t@git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-01-11
David van der Sp
o
el
De
l
eted old fi
l
e
commit
|
commitdiff
|
tree
2009-12-22
David van d
e
r Spoel
Merg
e
branc
h
'master'
o
f
g
it
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-22
David va
n
der Spoel
Add
e
d
1
commit
|
commitdiff
|
tree
2009-12-21
David
v
a
n
d
e
r
Spoel
Merge branch
'master' of git@git
.
gro
m
ac
s
.
org:gro
m
a
cs
commit
|
commitdiff
|
tree
2009-12-14
David van d
e
r
S
poel
Merge br
a
nch
'
master' of git
@
git
.
groma
c
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-12-14
D
avid van de
r
S
poel
Changed ato
m
number for
O
S (
o
p
ls_1
7
9,
opls_1
8
0) to
8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
D
avid van
der
S
poel
Merge branch '
m
aster' of g
i
t
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-12-07
Da
v
id van
d
e
r
Spoel
Updated
commit
|
commitdiff
|
tree
2009-12-01
David
v
a
n
der Spoel
Merge branch
'master' of git@git
.
groma
c
s
.
org:gr
o
m
a
c
s
commit
|
commitdiff
|
tree
2009-12-01
David v
a
n
d
er Spoel
Added include/vmdio
.
h to the
i
nstallab
l
e headers du
e
.
.
.
commit
|
commitdiff
|
tree
2009-12-01
David van d
e
r
Spoel
M
e
rge branch
'
ma
s
t
e
r' o
f
gi
t
@
g
i
t
.
gr
o
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-30
David van
der Spoel
Merge branch 'master' of git@git
.
g
r
omac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-15
D
a
v
id van de
r
Spoel
Merge bra
n
ch 'master' of git@gi
t
.
gro
m
acs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-11-15
David van
der
Spoel
A
d
ded check for c
h
d
i
r
return value
.
commit
|
commitdiff
|
tree
2009-11-10
David van der Spoel
Merge branc
h
'mas
t
er' of g
i
t
@git
.
g
r
o
macs
.
org:gro
m
a
c
s
commit
|
commitdiff
|
tree
2009-11-10
David van der Spoel
Added
2!!!
commit
|
commitdiff
|
tree
2009-10-25
Da
v
id van der Spoel
Mer
g
e branch '
m
aster' of git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-10-16
D
avid van d
e
r S
p
o
e
l
Merge branch '
m
aster' of
g
it@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Added a lot of help text
commit
|
commitdiff
|
tree
2009-09-18
David van
der Spoel
Removed confusing --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
David van
de
r
Spoel
Merge
b
ranc
h
'master' of
g
it
.
gromacs
.
org:gr
o
mac
s
commit
|
commitdiff
|
tree
2009-09-18
David va
n
de
r
Spoel
Added func
t
io
n
a
l
ity to change dir
e
ctories and ba
c
k
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id
van der Spoel
Fixed c
o
mpilation is
s
ue
.
commit
|
commitdiff
|
tree
2009-09-17
David van der Spoe
l
Merg
e
branc
h
'master' of git@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-09-15
David van
der
Spo
e
l
Made
r
e
gular h
i
st
o
gram for
g_clu
s
tize to
r
e
p
re
s
ent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van
d
er
Spoe
l
Merge branch 'master'
o
f git@git
.
gromacs
.
org:
g
r
o
mac
s
commit
|
commitdiff
|
tree
2009-09-14
David v
a
n der
Spoel
M
e
rg
e
branch 'mas
t
er' of git
.
gromac
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoel
Ma
d
e
statis
t
ics work with onl
y
1 data poi
n
t
commit
|
commitdiff
|
tree
2009-09-02
Da
v
id
v
a
n
der Spoel
Merg
e
branc
h
'maste
r
' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-02
David van
der Spoel
Merge branch
'
ma
s
t
e
r' of git@gi
t
.
gromacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2009-08-31
David va
n
d
e
r S
p
o
el
Merg
e
b
ra
n
ch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van der
S
poel
Merge b
r
anch 'm
a
ster' of git
.
g
romac
s
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van d
e
r S
p
oel
Ma
d
e
t
h
read stuff optional
commit
|
commitdiff
|
tree
2009-08-27
Dav
i
d v
a
n der Spoel
M
erge b
r
anch 'master' of git@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van der
Sp
o
el
Added
f
ata
l
er
r
o
r
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoe
l
Made
output spacier
commit
|
commitdiff
|
tree
2009-08-27
David v
a
n der Spoel
Added mi
s
sing f
i
lenam
e
commit
|
commitdiff
|
tree
2009-08-26
David v
a
n der Spoel
Made compilab
l
e
a
g
a
i
n
commit
|
commitdiff
|
tree
2009-08-11
Da
v
id
v
an der Spoel
Merge br
a
nch 'mast
e
r
' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-11
David van der
S
poel
Fixed
a
co
u
ple
o
f things rela
t
ed to new residue
n
umb
e
ring
.
commit
|
commitdiff
|
tree
2009-08-04
David van der
S
poel
Fix
e
d i j bbug
.
commit
|
commitdiff
|
tree
2009-08-04
Davi
d
van d
e
r Sp
o
el
Ad
d
ed extr
a
output
commit
|
commitdiff
|
tree
2009-08-04
David van der Spoel
Merge branch '
m
aster' o
f
g
i
t
@git
.
gromacs
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2009-08-04
D
avid van der S
p
oel
Fixed
b
ugs
commit
|
commitdiff
|
tree
2009-07-31
Davi
d
van der S
p
oel
Ad
d
e
d comments and citation
commit
|
commitdiff
|
tree
2009-07-31
David van der Spo
e
l
Re-added ehole: now in
w
orki
n
g
shape
commit
|
commitdiff
|
tree
2009-07-19
David van der Spoel
Removed d
o
uble
s
commit
|
commitdiff
|
tree
2009-07-10
David v
a
n der Spoel
Merge bran
c
h 'mas
t
er' of
g
it@
g
it
.
g
r
omacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Fixed erroneous checks for NULL pointers
.
commit
|
commitdiff
|
tree
2009-07-01
D
a
vid van
d
er Spoel
Set bView to FALSE by defaul
t
commit
|
commitdiff
|
tree
2009-06-26
D
a
vid van der Spoe
l
Merge branc
h
'master' of git@
g
i
t
.
gromacs
.
o
r
g
:g
r
o
m
acs
commit
|
commitdiff
|
tree
2009-06-26
David van der
Spoel
Fixe
d
m
issing g
e
nborn
.
h
commit
|
commitdiff
|
tree