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Version 2016.4
2017-05-14
Justi
n
Lemkul
Clarifications to editconf help t
e
xt
.
commit
|
commitdiff
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tree
2016-10-03
J
ustin Lemkul
Fix incorr
e
ct
charg
e
i
n
HISE
.
commit
|
commitdiff
|
tree
2015-10-18
Justin Lem
k
ul
Remo
v
ed d
i
hedr
a
ls fro
m
GLY
.
rtp
e
ntry
.
commit
|
commitdiff
|
tree
2015-08-14
J
u
stin
Lemkul
Avoid se
g
mentatio
n
fa
u
l
t in gmx chi
.
commit
|
commitdiff
|
tree
2015-05-05
Jus
t
i
n
L
emku
l
Fix for trjconv pr
e
serv
i
ng box dimen
s
ions
.
commit
|
commitdiff
|
tree
2014-11-09
Jus
t
i
n
Lem
k
ul
R
emoved spurio
u
s GLY dihedral in AMBER03
.
commit
|
commitdiff
|
tree
2014-09-10
Justin Lemkul
A
d
ded
f
lat-bot
t
om cylindrical restraints in x and
y
.
commit
|
commitdiff
|
tree
2014-09-01
Justin Lemkul
Updated x-axis label
f
o
r g_wham
.
commit
|
commitdiff
|
tree
2014-05-20
Jus
t
in L
e
mkul
I
m
p
rovements
t
o the g_lie help description
.
commit
|
commitdiff
|
tree
2014-04-29
J
u
stin Lemkul
Made
O
RCA comp
i
l
e
.
commit
|
commitdiff
|
tree
2014-04-10
Ju
s
tin Lemkul
Fixed typo in
manu
a
l
R
EADME
.
commit
|
commitdiff
|
tree
2014-04-09
J
u
s
t
i
n Lemkul
Fixed MG typo in residue
t
ypes
.
d
a
t
commit
|
commitdiff
|
tree
2014-01-29
Just
i
n Lemkul
Clarif
i
ed use of table-extension
.
.
commit
|
commitdiff
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tree
2014-01-21
Justi
n
L
emkul
Added AS
P
P
and GLUP
to res
i
duetypes
.
dat
.
commit
|
commitdiff
|
tree
2013-07-25
Justin Le
m
kul
Updated dlist
.
c to recogni
z
e
m
o
r
e atom na
m
es
.
commit
|
commitdiff
|
tree
2013-06-28
Ju
s
tin
L
emkul
Mi
n
or t
w
e
aks to qm_orca
.
c
commit
|
commitdiff
|
tree
2013-06-28
Justin Lemkul
F
i
x
es to
c
onfig
.
h
.
cmakein
t
o
set
GMX_QMMM_ORCA
.
commit
|
commitdiff
|
tree
2013-05-30
J
u
stin Lemkul
Added GROMOS96
5
4
A7 force
field files
.
commit
|
commitdiff
|
tree
2013-05-16
Justin
L
emkul
Fixed g_
s
gangle l
e
gends
.
commit
|
commitdiff
|
tree
2013-03-05
Justin
L
emk
u
l
Fixes for instal
l
guide page
.
commit
|
commitdiff
|
tree
2013-01-09
Justin Lemk
u
l
Cor
r
ected gmx
c
heck out
p
ut for
G
romos96 bonds
.
commit
|
commitdiff
|
tree
2013-01-05
J
u
stin Lemkul
R
emov
e
d ref
e
rence to nonexistent file in
g_
h
el
i
x
.
commit
|
commitdiff
|
tree
2013-01-03
J
ustin Lemkul
F
ixed fo
r
mat error in on
l
i
n
e m
a
nual
.
commit
|
commitdiff
|
tree
2012-12-27
Justin Le
m
kul
Minor fixes
t
o g_angle help descrip
t
ion
.
commit
|
commitdiff
|
tree
2012-06-15
Justin Lemkul
S
imple pa
t
ch fo
r
openmm_wrapper
.
c
pp
commit
|
commitdiff
|
tree
2011-04-04
J
u
sti
n
Lemkul
A
f
ew m
o
re additions to wman
.
c to
a
cco
u
nt for
s
ymbol
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
Justin Lemkul
Up
d
at
e
d
g_energy help
i
nformation
.
commit
|
commitdiff
|
tree
2011-03-24
Justin Lemk
u
l
Fixed inc
o
rrect ref
e
ren
c
e in g_tcaf
.
commit
|
commitdiff
|
tree
2011-03-23
Ju
s
tin Lemkul
Tons of s
m
all fixes
to documentation
.
commit
|
commitdiff
|
tree
2011-03-22
Jus
t
in
Lemkul
Lots of editoria
l
fixe
s
t
o description
s
, etc
.
to m
a
ke
.
.
.
commit
|
commitdiff
|
tree
2011-03-16
J
u
stin L
e
mkul
Made
g
_sgan
g
l
e
f
at
a
l
error a bit more verbose
.
commit
|
commitdiff
|
tree
2011-03-01
Just
i
n Lemkul
Small fixes t
o
g_di
e
lectr
i
c
descript
i
on
t
o i
m
prove
.
.
.
commit
|
commitdiff
|
tree
2011-02-26
Just
i
n Lemkul
Another typo
.
commit
|
commitdiff
|
tree
2011-02-26
J
u
stin L
e
mkul
Fixed s
o
me typos in mdp
_
opt
.
html
commit
|
commitdiff
|
tree
2011-02-25
Justin Lemku
l
Fixed
t
ypo in cita
t
ion
.
commit
|
commitdiff
|
tree
2011-02-16
Justin Lemkul
Add -tu optio
n
to
g
_hbon
d
.
commit
|
commitdiff
|
tree
2011-02-15
Justin Lemkul
S
m
all fix to improve
x
pm2ps out
p
ut
commit
|
commitdiff
|
tree
2011-02-03
Justin Lemkul
F
ixed a
t
ypo
.
commit
|
commitdiff
|
tree
2011-01-24
Ju
s
tin Lemkul
Variou
s
small cha
n
ges to the m
a
n
p
ag
e
s
.
commit
|
commitdiff
|
tree
2011-01-23
Justin Lem
k
u
l
S
m
all fix
for edi
t
conf r
e
lated to formatting consi
s
tency
.
commit
|
commitdiff
|
tree
2011-01-21
Justin Lemkul
Added g_pme_error
t
o p
r
ograms
.
txt
commit
|
commitdiff
|
tree
2011-01-21
Justi
n
Lem
k
ul
Mor
e
minor
f
ormatting/edit
o
rial fi
x
es for
th
e
manual
.
commit
|
commitdiff
|
tree
2011-01-19
Justi
n
Lem
k
u
l
F
ixes to
g
_wha
m
documentation
.
commit
|
commitdiff
|
tree
2011-01-19
J
u
stin Lemkul
Tons of ti
n
y changes
to d
o
cu
m
entati
o
n
.
Manual
looks
.
.
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Le
m
kul
Trivial fixes to
program desc
r
iptions
.
commit
|
commitdiff
|
tree
2011-01-18
Ju
s
tin Lemkul
Fixes to the demo sc
r
ipt
.
commit
|
commitdiff
|
tree
2011-01-17
Justin Lem
k
u
l
Fixes to
m
eth
a
nol and mixed demos
.
Issue ID
#669
commit
|
commitdiff
|
tree
2011-01-17
Justin
Lemk
u
l
Re
m
ove
d
non-existent pro
g
ram and r
e
d
u
n
dant information
.
.
.
commit
|
commitdiff
|
tree
2011-01-17
J
u
stin Lemkul
Various
edit
o
rial
a
nd for
m
a
t
t
ing fixes
commit
|
commitdiff
|
tree
2011-01-14
Justin Lemku
l
Fi
x
es to
gr
o
mpp -max
w
a
r
n do
c
umentation
.
Issue
I
D
#6
2
7
commit
|
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|
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