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Moved pull params to mdtypes/pull-params.h
2015-10-18
Ju
s
tin Lemkul
R
e
m
o
ved dihedrals from GLY
.
rtp entry
.
commit
|
commitdiff
|
tree
2015-08-14
Jus
t
in Lemkul
Avo
i
d segme
n
ta
t
ion fault in
g
mx chi
.
commit
|
commitdiff
|
tree
2015-05-05
Justin L
e
m
k
ul
Fi
x
for trj
c
onv
pre
s
erving box dimensions
.
commit
|
commitdiff
|
tree
2014-11-09
Justin Lemkul
Re
m
oved spurio
u
s GLY dihedral
i
n AMBER03
.
commit
|
commitdiff
|
tree
2014-09-10
Just
i
n Lemkul
A
d
de
d
flat-bottom cy
l
i
ndrical res
t
raints
in
x and y
.
commit
|
commitdiff
|
tree
2014-09-01
Justin Lemkul
U
p
dated x-axis
label for g_wham
.
commit
|
commitdiff
|
tree
2014-05-20
Justin Lemkul
Im
p
rovem
e
nts t
o
the g_lie help d
e
s
c
ript
i
on
.
commit
|
commitdiff
|
tree
2014-04-29
Justin Lemkul
Made O
R
C
A
compile
.
commit
|
commitdiff
|
tree
2014-04-10
J
u
stin Lemkul
F
i
x
ed t
y
po
in ma
n
ual README
.
commit
|
commitdiff
|
tree
2014-04-09
Justin L
e
mkul
F
ixed MG typo in res
i
duetyp
e
s
.
dat
commit
|
commitdiff
|
tree
2014-01-29
Jus
t
i
n
Lemkul
Clar
i
fied u
s
e of table-extens
i
on
.
.
commit
|
commitdiff
|
tree
2014-01-21
Justin Lemkul
Added
A
SPP and
GLU
P
t
o
residuetypes
.
dat
.
commit
|
commitdiff
|
tree
2013-07-25
Justin Lemkul
Updated d
l
ist
.
c
t
o recognize
mo
r
e
atom names
.
commit
|
commitdiff
|
tree
2013-06-28
Justin Lemkul
Min
o
r tweaks to qm_
o
rca
.
c
commit
|
commitdiff
|
tree
2013-06-28
Justin Lemk
u
l
Fixes to
c
onfig
.
h
.
c
makein to s
e
t
GM
X
_QMMM_ORCA
.
commit
|
commitdiff
|
tree
2013-05-30
Justin Lemku
l
Added GROMOS96 54
A
7
forc
e
field files
.
commit
|
commitdiff
|
tree
2013-05-16
Ju
s
tin Lemkul
Fixed g_sg
a
ngl
e
legends
.
commit
|
commitdiff
|
tree
2013-03-05
Justi
n
Lemkul
Fixes
for install
g
uide page
.
commit
|
commitdiff
|
tree
2013-01-09
Justin L
e
mkul
Correc
t
ed gmx
c
heck output fo
r
Grom
o
s96 bonds
.
commit
|
commitdiff
|
tree
2013-01-05
Justin L
e
mkul
Removed reference to no
n
e
x
i
stent f
i
le
in g_helix
.
commit
|
commitdiff
|
tree
2013-01-03
Justin Lemkul
F
i
xed
f
or
m
at error in online manu
a
l
.
commit
|
commitdiff
|
tree
2012-12-27
Justin Lemkul
Minor fixes to
g_angl
e
hel
p
de
s
cript
i
on
.
commit
|
commitdiff
|
tree
2012-06-15
Justin Lemkul
S
imple patch for
o
p
enmm_w
r
ap
p
er
.
c
p
p
commit
|
commitdiff
|
tree
2011-04-04
Justin Lem
k
u
l
A few more a
d
ditions to wman
.
c to account for sy
m
bo
l
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
Ju
s
t
i
n Lemkul
Updated g_energy
help information
.
commit
|
commitdiff
|
tree
2011-03-24
Justin Lemku
l
Fixe
d
incorrect ref
e
rence in
g
_t
c
a
f
.
commit
|
commitdiff
|
tree
2011-03-23
Justin Lemku
l
Tons of
s
mall fixes to d
o
c
umentation
.
commit
|
commitdiff
|
tree
2011-03-22
Just
i
n
Lemkul
L
o
t
s of editori
a
l
f
ix
e
s to desc
r
i
p
t
ions,
etc
.
to
ma
k
e
.
.
.
commit
|
commitdiff
|
tree
2011-03-16
Justin Lemk
u
l
Made g_sgangle fatal error
a
bit more verbose
.
commit
|
commitdiff
|
tree
2011-03-01
J
u
st
i
n Lemkul
Small fixes to g_dielectric des
c
ription to
i
mpr
o
ve
.
.
.
commit
|
commitdiff
|
tree
2011-02-26
Ju
s
tin Lemkul
Anothe
r
typ
o
.
commit
|
commitdiff
|
tree
2011-02-26
Jus
t
in Lemkul
Fixed
some
typos in mdp
_
opt
.
html
commit
|
commitdiff
|
tree
2011-02-25
Justi
n
Lemk
u
l
Fi
x
ed typo
in
ci
t
ation
.
commit
|
commitdiff
|
tree
2011-02-16
Justin Lemkul
A
d
d -tu option to g_
h
bo
n
d
.
commit
|
commitdiff
|
tree
2011-02-15
Justin
L
emkul
Small fix
t
o improve
x
pm2ps outp
u
t
commit
|
commitdiff
|
tree
2011-02-03
Justin Lemkul
Fixed a typo
.
commit
|
commitdiff
|
tree
2011-01-24
Justin Le
m
kul
Various sma
l
l changes to th
e
m
a
n
pag
e
s
.
commit
|
commitdiff
|
tree
2011-01-23
J
usti
n
Lemkul
Small fix
for editconf related to form
a
tting consistency
.
commit
|
commitdiff
|
tree
2011-01-21
Jus
t
in Lemkul
Added
g_pme_error to prog
r
ams
.
txt
commit
|
commitdiff
|
tree
2011-01-21
Justin Lemkul
More minor f
o
rmattin
g
/
e
ditorial
f
ix
e
s for
t
he m
a
nual
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Le
m
kul
Fixes to g_wham documenta
t
ion
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Lemkul
Tons of tiny ch
a
nges to d
o
c
u
m
entation
.
Manual looks
.
.
.
commit
|
commitdiff
|
tree
2011-01-19
J
u
st
i
n Lemkul
Trivial fi
x
es to program descriptions
.
commit
|
commitdiff
|
tree
2011-01-18
Justin Le
m
kul
Fixe
s
to th
e
d
e
mo scr
i
pt
.
commit
|
commitdiff
|
tree
2011-01-17
Justi
n
Lemkul
Fixe
s
to methanol
and
mixed
demo
s
.
Issue ID #6
6
9
commit
|
commitdiff
|
tree
2011-01-17
Jus
t
in Lemkul
Removed
non
-
existent prog
r
am and redundant inform
a
tion
.
.
.
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemku
l
Variou
s
editorial an
d
formatting fixes
commit
|
commitdiff
|
tree
2011-01-14
Jus
t
i
n
Lemk
u
l
Fixes to g
r
o
m
p
p
-maxwarn documentat
i
on
.
I
ssue ID #627
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