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Refactored set_pbc_dd
2015-10-18
Justin Lemk
u
l
R
e
moved dihedr
a
ls fro
m
GLY
.
r
t
p entry
.
commit
|
commitdiff
|
tree
2015-08-14
Ju
s
tin Lemkul
A
v
oid
s
egmentation
f
ault i
n
gmx
chi
.
commit
|
commitdiff
|
tree
2015-05-05
Justin Lemkul
Fix for
trjconv preserving box dim
e
nsions
.
commit
|
commitdiff
|
tree
2014-11-09
Justin Lem
k
u
l
Remove
d
spurious GLY dihe
d
r
a
l in AMBER
0
3
.
commit
|
commitdiff
|
tree
2014-09-10
Jus
t
in Lemkul
Added flat-bottom cylindric
a
l r
e
stra
i
nts in x and y
.
commit
|
commitdiff
|
tree
2014-09-01
Jus
t
in Lemkul
Updated x-axis
l
abel f
o
r g_wham
.
commit
|
commitdiff
|
tree
2014-05-20
J
u
s
tin Lemkul
Improvements to the g_lie he
l
p description
.
commit
|
commitdiff
|
tree
2014-04-29
Justin Lemkul
Made
O
RCA compile
.
commit
|
commitdiff
|
tree
2014-04-10
Justi
n
Lemkul
Fixed typo in manual
R
E
A
D
M
E
.
commit
|
commitdiff
|
tree
2014-04-09
J
u
stin Lemkul
Fi
x
ed MG t
y
p
o
i
n
r
esi
d
uetypes
.
da
t
commit
|
commitdiff
|
tree
2014-01-29
Justin
L
e
m
kul
Clarified use
o
f table-extension
.
.
commit
|
commitdiff
|
tree
2014-01-21
Ju
s
tin Lemkul
Added ASPP and GLUP to
r
e
siduety
p
es
.
dat
.
commit
|
commitdiff
|
tree
2013-07-25
Justin
Le
m
kul
U
pdated dl
i
st
.
c
t
o
recogni
z
e mo
r
e atom
n
ames
.
commit
|
commitdiff
|
tree
2013-06-28
Justin Lemkul
M
inor tweaks
to qm
_
or
c
a
.
c
commit
|
commitdiff
|
tree
2013-06-28
Justin Lemkul
Fixes to
config
.
h
.
cmakein t
o
set G
M
X_QMMM_O
R
CA
.
commit
|
commitdiff
|
tree
2013-05-30
Justin Lemkul
Added GROMOS96 5
4
A7 force field files
.
commit
|
commitdiff
|
tree
2013-05-16
Justin Lem
k
ul
Fi
x
ed
g
_sgangle legend
s
.
commit
|
commitdiff
|
tree
2013-03-05
Justin Lem
k
ul
Fi
x
es for in
s
tall guide
p
age
.
commit
|
commitdiff
|
tree
2013-01-09
J
us
t
in Lemku
l
Corrected gmxcheck
output for Grom
o
s
96 bonds
.
commit
|
commitdiff
|
tree
2013-01-05
Justin
L
e
m
k
u
l
R
e
moved
r
e
ference to
non
e
xistent file
i
n g_helix
.
commit
|
commitdiff
|
tree
2013-01-03
Jus
t
in Lemku
l
Fix
e
d
f
ormat error in online manual
.
commit
|
commitdiff
|
tree
2012-12-27
Justin Lem
k
ul
M
i
nor fixes to g_a
n
g
l
e help descripti
o
n
.
commit
|
commitdiff
|
tree
2012-06-15
Justi
n
Lemku
l
S
im
p
le patch for open
m
m_wrapper
.
cpp
commit
|
commitdiff
|
tree
2011-04-04
Justin Le
m
kul
A few more
a
ddit
i
o
n
s t
o
wman
.
c to
a
cco
u
nt for s
y
mbol
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
Justi
n
Lemk
u
l
U
p
d
a
t
ed
g
_energy he
l
p
information
.
commit
|
commitdiff
|
tree
2011-03-24
Jus
t
in Le
m
kul
F
i
xed incorrect
r
e
f
eren
c
e in g_tcaf
.
commit
|
commitdiff
|
tree
2011-03-23
Justin Lemkul
Tons of
small fixes
t
o
docume
n
t
a
t
ion
.
commit
|
commitdiff
|
tree
2011-03-22
Just
i
n Lemkul
Lots
of editorial fixes to descript
i
ons,
e
t
c
.
to
m
ak
e
.
.
.
commit
|
commitdiff
|
tree
2011-03-16
Justin L
e
mkul
Made
g
_s
g
angle
fata
l
error a
bit
m
ore v
e
rb
o
s
e
.
commit
|
commitdiff
|
tree
2011-03-01
Justi
n
Lemkul
Sma
l
l fixes to g_dielectr
i
c descrip
t
i
o
n to
i
mpr
o
ve
.
.
.
commit
|
commitdiff
|
tree
2011-02-26
Ju
s
tin Lemkul
A
n
other
t
ypo
.
commit
|
commitdiff
|
tree
2011-02-26
Justin
L
e
mku
l
Fixed some typos in mdp_opt
.
ht
m
l
commit
|
commitdiff
|
tree
2011-02-25
Justin Lemkul
Fixed
t
ypo in citat
i
on
.
commit
|
commitdiff
|
tree
2011-02-16
Justin
L
em
k
u
l
Add
-
tu
o
ption to
g_hbon
d
.
commit
|
commitdiff
|
tree
2011-02-15
Justin Le
m
ku
l
S
m
all fix to imp
r
ove xpm2ps output
commit
|
commitdiff
|
tree
2011-02-03
J
ustin
L
emkul
F
i
xe
d
a typ
o
.
commit
|
commitdiff
|
tree
2011-01-24
Justin Lemkul
V
a
r
i
ous small change
s
to
t
he man pages
.
commit
|
commitdiff
|
tree
2011-01-23
Justin Lemkul
S
m
all fix
f
or
e
ditconf rel
a
ted to
f
ormat
t
i
ng consi
s
tency
.
commit
|
commitdiff
|
tree
2011-01-21
J
ustin
L
emkul
A
d
d
ed g_pme_err
o
r to program
s
.
txt
commit
|
commitdiff
|
tree
2011-01-21
Jus
t
in
L
emkul
More minor form
a
tting/e
d
i
t
orial f
i
xes for t
h
e ma
n
u
al
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Le
m
k
ul
Fixes
t
o g_wha
m
d
oc
u
mentati
o
n
.
commit
|
commitdiff
|
tree
2011-01-19
Justi
n
Lemk
u
l
Tons
o
f tiny cha
n
ges
t
o
documentation
.
M
a
nu
a
l looks
.
.
.
commit
|
commitdiff
|
tree
2011-01-19
J
u
st
i
n Lemkul
Trivial fixes to program d
e
scriptions
.
commit
|
commitdiff
|
tree
2011-01-18
Ju
s
t
i
n Lemk
u
l
Fixes
t
o
t
h
e demo scrip
t
.
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemkul
Fixes to methanol and m
i
xed demos
.
Issue ID
#669
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemkul
Re
m
oved n
o
n
-e
x
istent program and redundant information
.
.
.
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemkul
Vario
u
s edit
o
ri
a
l and formatting fixes
commit
|
commitdiff
|
tree
2011-01-14
J
u
stin Lemkul
Fixes to g
r
omp
p
-
m
axwar
n
d
o
cument
a
tio
n
.
I
s
s
ue ID #627
commit
|
commitdiff
|
tree