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Added more suggested strategies to error message
2012-06-04
Mar
k
Abra
h
am
Added more
s
u
ggested strategies to
er
r
or message
commit
|
commitdiff
|
tree
2012-05-26
Mark Abr
a
ham
Cont
i
n
u
i
ng t
o
fix thread
i
ng on Cygwin
commit
|
commitdiff
|
tree
2012-04-28
Mark Abraha
m
Merge "Remove
c
hec
k
s
based on Generator" into release
.
.
.
commit
|
commitdiff
|
tree
2012-04-28
Mark
A
braha
m
M
e
rg
e
"Fix versi
o
n info generati
o
n
for a
u
t
o
conf
.
" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2012-04-19
M
a
rk A
b
raham
Various improvements to sh
e
ll
c
ode
commit
|
commitdiff
|
tree
2012-04-14
Mark Abraha
m
Described default output behaviour
commit
|
commitdiff
|
tree
2012-04-14
Mark Abr
a
ham
Cl
a
rifi
e
d warn
i
ng me
s
sage
commit
|
commitdiff
|
tree
2012-04-14
Mark
A
br
a
ham
Clarified warning string
commit
|
commitdiff
|
tree
2012-04-10
Mark
Abra
h
am
Made g_helix sen
s
itive t
o
CHAR
M
M atom namin
g
commit
|
commitdiff
|
tree
2012-04-10
M
a
rk
A
braham
Per
m
it thread
s
build on C
y
gwin
commit
|
commitdiff
|
tree
2012-04-09
Mark Ab
r
aham
D
ocument
a
tion and error
message enh
a
ncements
commit
|
commitdiff
|
tree
2012-04-09
Mark A
b
raham
Lots o
f
m
a
nu
a
l updates
commit
|
commitdiff
|
tree
2012-04-09
Mark Abr
a
ha
m
C
o
n
solidated documen
t
ation of
.
m
d
p
restraint options
commit
|
commitdiff
|
tree
2012-04-02
Mar
k
Abraham
Improved
pdb2gmx error message
commit
|
commitdiff
|
tree
2012-04-02
Mar
k
A
braham
Keep CMak
e
q
u
iet about a Cygwin issue
commit
|
commitdiff
|
tree
2012-03-18
Mark Abraham
Warnings against equil
i
bratin
g
with
P
-
R P-coupl
i
ng
commit
|
commitdiff
|
tree
2012-03-15
Mark Abraham
C
l
a
rified
w
ording of doc
u
mentat
i
on
commit
|
commitdiff
|
tree
2012-03-14
Ma
r
k Abraham
Changed
c
ry
p
tic
e
rror m
e
ssages about disk quota
commit
|
commitdiff
|
tree
2012-03-09
Mark Abraham
M
ore editorial fixes to tool do
c
umentat
i
on
commit
|
commitdiff
|
tree
2012-03-09
Mark Ab
r
a
h
a
m
Editorial ch
a
nges to tools docum
e
ntation
commit
|
commitdiff
|
tree
2012-03-08
M
a
r
k
Abraha
m
Improved war
n
ing no
t
e with DD and periodic molecules
commit
|
commitdiff
|
tree
2012-03-08
Mark
Abraha
m
Made description strin
g
for
g_
s
el
e
ct -select clearer
commit
|
commitdiff
|
tree
2012-03-08
M
a
rk Abraham
I
m
p
roved cryptic error message
commit
|
commitdiff
|
tree
2012-02-24
Mark Abrah
a
m
Minor forma
t
t
i
n
g
f
ixes to
.
mdp option d
o
cum
e
ntation
commit
|
commitdiff
|
tree
2012-02-23
Mark
A
braham
F
i
x pdb
2
g
mx -cma
p
i
n corn
e
r cases
commit
|
commitdiff
|
tree
2012-02-10
Mark
Abr
a
h
a
m
Fix
e
d
g_sham using more
tha
n
t
h
ree dimensi
o
ns
commit
|
commitdiff
|
tree
2012-02-10
Mark Abraham
Inte
g
er m
u
l
t
i
pl
i
cation
t
hat checks f
o
r o
v
erflow
commit
|
commitdiff
|
tree
2012-02-01
Mark Abraha
m
F
i
x
ed trjconv
-sub
commit
|
commitdiff
|
tree
2012-02-01
Mark Abraha
m
Fixed err
o
r
me
s
sage to i
d
e
n
ti
f
y
th
e
c
o
rrect file
commit
|
commitdiff
|
tree
2012-02-01
M
ark
A
bra
h
a
m
I
m
p
roved error message
commit
|
commitdiff
|
tree
2012-01-31
Mark
A
brah
a
m
Merg
e
"Correcte
d
use of ?:
i
n conditional"
i
n
t
o
r
elease
.
.
.
commit
|
commitdiff
|
tree
2012-01-31
Mark
Abraham
Made error message even more exp
l
i
c
it
commit
|
commitdiff
|
tree
2012-01-31
Mark Abraham
C
o
rrecte
d
u
s
e
o
f
?: in co
n
diti
o
n
al
commit
|
commitdiff
|
tree
2012-01-10
Mar
k
A
b
r
aham
Fixed
use of
isfinit
e
and _isfinite
commit
|
commitdiff
|
tree
2012-01-04
Mark Abraha
m
Ad
d
e
d
C
Make
Toolchain file
fo
r
B
l
ueGene/P
commit
|
commitdiff
|
tree
2011-12-29
Mark Ab
r
aham
Documente
d
the funct
i
on of g_cluster -
c
l -
n
oav
commit
|
commitdiff
|
tree
2011-12-14
M
a
rk Abraham
Re
-
fixe
d
sta
t
ic l
i
nking
of
maths librar
i
e
s under UNIX
commit
|
commitdiff
|
tree
2011-12-13
Mark Abraham
Relaxed some
a
ss
u
mptions about trajectory
times
commit
|
commitdiff
|
tree
2011-11-24
Mark Abrah
a
m
Only
a
nalyse ang
l
e transition
s
for dih
e
dral
ang
l
es
commit
|
commitdiff
|
tree
2011-11-24
Mar
k
Abraham
Adde
d
pr
o
tecti
v
e preproce
s
sor directives
commit
|
commitdiff
|
tree
2011-11-23
M
a
r
k
Abraham
Fixed g_angle -f -or to
c
opy times from -f to
-
or
commit
|
commitdiff
|
tree
2011-11-02
Mark Abraham
Fix for GB, double
,
SSE2
a
nd optimized
k
ernels
commit
|
commitdiff
|
tree
2011-11-01
Mark Abraham
Tr
i
g
g
er correct
k
erne
l
s under Cygw
i
n
commit
|
commitdiff
|
tree
2011-10-27
M
ark
A
braha
m
Made r
e
ading
of binary m
a
tr
i
ces mo
r
e robust
commit
|
commitdiff
|
tree
2011-10-19
Mark Abraham
Correct
e
d charge of CHARMM zin
c
i
on to +2
commit
|
commitdiff
|
tree
2011-10-06
Mark Abraham
Removed er
r
oneous us
e
of MASSV on Blue
G
ene
commit
|
commitdiff
|
tree
2011-10-06
Ma
r
k A
b
raham
Fixe
s
for GB kern
e
l
commit
|
commitdiff
|
tree
2011-09-27
Mark Abr
a
ham
Added tip
for converting
.
xpm to something use
f
ul
commit
|
commitdiff
|
tree
2011-09-26
Ma
r
k Abra
h
am
Dropped so
m
e hint
s
in the documentat
i
on
commit
|
commitdiff
|
tree
2011-09-26
M
a
rk Ab
r
ah
a
m
Removed CMake war
n
in
g
for re
c
ent
O
penM
P
I versio
n
s
commit
|
commitdiff
|
tree
2011-09-15
Mark Abraham
Fix trjconv -s
u
b
commit
|
commitdiff
|
tree
2011-09-15
Mark Abraham
W
a
r
n
ing about tr
j
co
n
v -
s
ub ne
e
ding many files o
p
e
n
commit
|
commitdiff
|
tree
2011-09-15
M
ark Abraham
g_sham -mda
t
a is an
input fi
l
e, not output file
commit
|
commitdiff
|
tree
2011-09-14
Mark
A
brah
a
m
For
m
a
t
w
arning
b
e
t
ter
commit
|
commitdiff
|
tree
2011-09-13
Mark Abr
a
ham
F
i
x pdb2g
m
x -debug and
.
hd
b
fi
l
e
s
commit
|
commitdiff
|
tree
2011-09-13
Mark Abra
h
am
F
i
x for CMake finding LAPACK
commit
|
commitdiff
|
tree
2011-09-13
M
a
rk Abraham
Added ACE and
CT3
to CHARMM27 ami
n
oa
c
ids
.
rtp
commit
|
commitdiff
|
tree
2011-09-13
Mark Abraham
Fixed
charge g
r
oups of CHARMM27 DNA/RNA term
i
n
al H
commit
|
commitdiff
|
tree
2011-09-13
Mark Abraham
Fixes
f
or
C
Make finding FORTRAN library names on POWER6
commit
|
commitdiff
|
tree
2011-09-06
Mark Abra
h
am
Fix bug with
large in
t
s withou
t
MP
I
_IN_PL
A
CE
commit
|
commitdiff
|
tree
2011-09-01
M
a
rk Abraha
m
M
a
de grompp note about non-zero cha
r
ge mor
e
useful
commit
|
commitdiff
|
tree
2011-09-01
Mark
Ab
r
aham
R
e-implemented generati
n
g
d
ef
a
ult protein index groups
commit
|
commitdiff
|
tree
2011-09-01
M
ark Abraham
Adj
u
sted cons
t
r
u
ction of def
a
ul
t
index g
r
o
ups
commit
|
commitdiff
|
tree
2011-09-01
M
a
rk Abra
h
a
m
Fixed comment
commit
|
commitdiff
|
tree
2011-08-23
Mark
Abraham
Fixed g_dis
r
e
dereferencing c
r
commit
|
commitdiff
|
tree
2011-08-23
Mark Abrah
a
m
T
ypo fix
commit
|
commitdiff
|
tree
2011-08-19
Mark Abraham
Ex
p
lained termina
l
residues and AMBER in
pdb2gmx
-
h
commit
|
commitdiff
|
tree
2011-08-16
M
a
r
k
Abraham
Made free energy perturba
t
ion work
with CMA
P
commit
|
commitdiff
|
tree
2011-08-03
Mark Abraha
m
Fixed output bu
g
in demux
.
p
l
commit
|
commitdiff
|
tree
2011-07-17
Mark Abraham
Streamlined small part
o
f
p
db2gm
x
commit
|
commitdiff
|
tree
2011-07-15
Ma
r
k Abraham
R
e
ading a
.
g9
6
trajectory no
w
cau
s
es f
a
tal error
commit
|
commitdiff
|
tree
2011-07-11
Mark Abraham
Fi
x
some identifi
e
r naming issu
e
s i
n
las
t
comm
i
t
commit
|
commitdiff
|
tree
2011-07-11
Mar
k
Abrah
a
m
A
v
o
ided some integer overflows
commit
|
commitdiff
|
tree
2011-07-08
Mark
Abraham
Clar
i
fied u
s
e of
O
P
LS
/
AA z
w
it
t
e
r
i
on termini
commit
|
commitdiff
|
tree
2011-07-08
Mark Abraham
Fi
x
ed
imp
r
oper
file
close with GB and mdrun -debug
commit
|
commitdiff
|
tree
2011-07-08
Mark
Abraham
Made
p
db2gm
x
er
r
or
m
e
s
sa
g
e less cryptic
commit
|
commitdiff
|
tree
2011-06-29
Mark Ab
r
aham
Rever
t
"dr
a
ft"
commit
|
commitdiff
|
tree
2011-06-29
Mark Abraham
Improve
d
e
r
ror message and docum
e
n
ta
t
i
on
commit
|
commitdiff
|
tree
2011-06-29
Mark Abraham
dr
a
ft
commit
|
commitdiff
|
tree
2011-06-21
M
ark Abraham
E
xpanded LINCS warning
t
ext
commit
|
commitdiff
|
tree
2011-06-07
Mark Abr
a
ham
Fixe
d
spelling of r
e
produc
i
b
le
commit
|
commitdiff
|
tree
2011-05-11
Mark
A
braham
Ad
d
ed
r
eference to g
_
sas
-
h
commit
|
commitdiff
|
tree
2011-05-11
Mark A
b
raham
Cle
a
ned up
g
_sas
help t
e
xt
commit
|
commitdiff
|
tree
2011-05-09
M
a
rk Abraha
m
Added hint a
b
out ca
l
ling trjconv
m
ore t
h
an once
commit
|
commitdiff
|
tree
2011-05-09
M
a
rk Abraham
S
p
aced o
u
t par
a
graphs in trjconv help
commit
|
commitdiff
|
tree
2011-05-02
Mark
Ab
r
a
h
am
Removed duplica
t
e
d
e
f
i
nition of
m
d
_prin
t
_
w
ar
n
in
g
()
commit
|
commitdiff
|
tree
2011-05-01
Mark
A
braham
Fixed
d
es
c
ripti
o
n of
.
mdp optio
n
to
"h-bo
n
ds
"
commit
|
commitdiff
|
tree
2011-04-14
Mark
Ab
r
aham
Removed unn
e
cessar
y
#in
c
ludes
commit
|
commitdiff
|
tree
2011-04-14
Mark Abraham
Del
e
ted duplicat
e
d code
commit
|
commitdiff
|
tree
2011-04-14
Mark Abraham
Moved vario
u
s support
func
t
ions fo
r
do_md into mdlib
commit
|
commitdiff
|
tree
2011-04-14
Ma
r
k Abraham
M
o
ve
d
iterated-constr
a
ints code into mdlib
commit
|
commitdiff
|
tree
2011-04-14
Mark Abra
h
am
Moved heuristic neighbor-lis
t
cod
e
into
mdlib
commit
|
commitdiff
|
tree
2011-04-14
M
ark Ab
r
aham
Fixed c
o
d
e
duplica
t
ion
commit
|
commitdiff
|
tree
2011-04-14
Mark Abraham
Fixed header #ifndef t
e
st
commit
|
commitdiff
|
tree
2011-03-30
Mark Abraha
m
Removed useless const qualifier
commit
|
commitdiff
|
tree
2011-03-30
Mark Abraham
Sup
p
ress
e
d Cygwi
n
C-on
l
y com
p
iler warni
n
gs
commit
|
commitdiff
|
tree
2011-03-26
Mark
A
bra
h
am
Fixed g_clus
t
e
r
lo
g
ic error
commit
|
commitdiff
|
tree
2011-03-26
Mark Abrah
a
m
Made
g
mx_rmp
b
c_
t
object f
u
nctions not segfault
commit
|
commitdiff
|
tree
2011-03-26
Mark
A
braham
F
i
x
ed ma
t
io
.
c s
f
ree
(
) that
m
ade
D
v
d
S cry
.
commit
|
commitdiff
|
tree
2011-03-08
Mark Abraham
Added
grompp note about a
v
oiding ze
r
o-s
t
ep EM
commit
|
commitdiff
|
tree
next