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Fixed MG typo in residuetypes.dat
2014-04-09
J
u
stin
Le
m
kul
Fixed M
G
t
ypo in r
e
sid
u
etypes
.
dat
commit
|
commitdiff
|
tree
2014-01-29
Ju
s
tin Lemkul
C
l
ari
f
ied use of table-extension
.
.
commit
|
commitdiff
|
tree
2014-01-21
J
ustin Lemkul
A
d
ded ASPP and GLUP to residuet
y
pe
s
.
da
t
.
commit
|
commitdiff
|
tree
2013-07-25
Jus
t
i
n
Lemkul
Up
d
ate
d
dlist
.
c
t
o recognize more atom
names
.
commit
|
commitdiff
|
tree
2013-06-28
Ju
s
tin Lemkul
Minor tweaks to qm_orca
.
c
commit
|
commitdiff
|
tree
2013-06-28
J
u
stin L
e
mkul
Fixes to
confi
g
.
h
.
c
mak
e
in
to set GMX_QMMM_ORC
A
.
commit
|
commitdiff
|
tree
2013-05-30
Justin Lem
k
ul
Added GROMO
S
96 54A7 force f
i
eld f
i
l
e
s
.
commit
|
commitdiff
|
tree
2013-05-16
Justin Le
m
kul
F
ixed g_sgan
g
le
l
egends
.
commit
|
commitdiff
|
tree
2013-03-05
Justin Lemkul
Fixes for install guide page
.
commit
|
commitdiff
|
tree
2013-01-09
Justin Lemkul
Corrected g
m
x
c
heck output for Gro
m
o
s96 bonds
.
commit
|
commitdiff
|
tree
2013-01-05
Justin Lemkul
Re
m
ove
d
referen
c
e to non
e
xistent file in g_helix
.
commit
|
commitdiff
|
tree
2013-01-03
Justin L
e
mkul
Fixed fo
r
m
a
t
e
rror in o
n
line manual
.
commit
|
commitdiff
|
tree
2012-12-27
Justin Lemkul
Minor f
i
xes to g_ang
l
e help
de
s
cript
i
on
.
commit
|
commitdiff
|
tree
2012-06-15
Ju
s
ti
n
Le
m
kul
Simple pat
c
h for o
p
enmm_
w
r
apper
.
c
pp
commit
|
commitdiff
|
tree
2011-09-19
Ju
s
tin A
.
Lemkul
Fixed typ
o
s in docu
m
enta
t
ion
.
commit
|
commitdiff
|
tree
2011-07-20
Justin A
.
L
e
mku
l
Removed
j
a
rgon and abb
r
ev
i
ations from pdb2gmx
.
commit
|
commitdiff
|
tree
2011-07-01
Justin A
.
Lemkul
Fixe
d
PM
E
cita
t
ion
.
commit
|
commitdiff
|
tree
2011-06-29
Justin A
.
Lemkul
F
ixes for g_bar o
u
tput
.
Uni
t
s are
n
ow co
r
rect
.
commit
|
commitdiff
|
tree
2011-06-21
Justin A
.
Lemkul
Fi
x
ed
t
ypos
.
commit
|
commitdiff
|
tree
2011-06-21
Just
i
n A
.
Lemkul
Made
g
rompp fatal e
r
r
or a little more
explicit
.
commit
|
commitdiff
|
tree
2011-06-09
Justi
n
A
.
Lemku
l
genion
a
n
d
genbox
n
ow p
r
int in a
consisten
t
man
n
er
.
commit
|
commitdiff
|
tree
2011-06-08
Justin A
.
Lemkul
Minor cla
r
ific
a
tio
n
s to
g
_rotacf help in
f
or
m
ation
.
commit
|
commitdiff
|
tree
2011-05-26
Justin A
.
Lemkul
Fixes t
o
su
g
ar dihedrals
.
commit
|
commitdiff
|
tree
2011-05-11
Justin A
.
Lemkul
Fixed typo
.
commit
|
commitdiff
|
tree
2011-05-10
J
ustin A
.
Lemku
l
F
ixed g_dipoles help des
c
ription
.
Fixed spacing and
.
.
.
commit
|
commitdiff
|
tree
2011-04-28
J
u
stin A
.
L
e
m
k
ul
Small fixes
t
o mdp_opt
.
html
commit
|
commitdiff
|
tree
2011-04-19
Justin
A
.
L
em
k
ul
Made Gromacs
co
m
pil
e
again
.
commit
|
commitdiff
|
tree
2011-04-19
Justi
n
A
.
Lemkul
Small
i
m
prov
e
ment t
o
g
_p
r
o
tonate,
to
u
se gmx_strd
u
p
.
.
.
commit
|
commitdiff
|
tree
2011-04-16
Justin
A
.
Lemkul
Standardized
sp
a
cing o
f
*
.
ff/ions
.
itp
a
nd fixed som
e
.
.
.
commit
|
commitdiff
|
tree
2011-04-11
Justin A
.
Lemkul
Revision t
o
previous commi
t
: fixed typo
a
n
d no
w
b
ugs
.
.
.
commit
|
commitdiff
|
tree
2011-04-11
Jus
t
i
n A
.
Lemkul
Made
g_protonate (partial
l
y) w
o
rk
.
commit
|
commitdiff
|
tree
2011-04-10
Justin A
.
Lemkul
Added a fe
w
files to
f
i
x the build system
.
commit
|
commitdiff
|
tree
2011-04-07
Ju
s
ti
n
A
.
Lem
k
ul
Revised wording in pdb2gmx
.
c, hopefully clearer now
.
commit
|
commitdiff
|
tree
2011-04-06
Justin A
.
L
emku
l
Added documentatio
n
about proper us
e
of pdb2gmx -te
r
.
commit
|
commitdiff
|
tree
2011-04-04
Justin Lemkul
A few more
a
d
d
ition
s
to
wman
.
c to acco
u
nt for symbol
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
J
u
stin Lemkul
Updated g_en
e
rgy
help
information
.
commit
|
commitdiff
|
tree
2011-03-24
Justi
n
Lemkul
Fixed incorrect ref
e
rence in
g_tcaf
.
commit
|
commitdiff
|
tree
2011-03-23
J
u
stin Lemkul
T
o
n
s of small fi
x
es to documentation
.
commit
|
commitdiff
|
tree
2011-03-22
Justin Lemkul
Lots of editorial fixes
t
o descriptions, etc
.
t
o
m
a
ke
.
.
.
commit
|
commitdiff
|
tree
2011-03-16
J
ustin L
e
mku
l
Made g_sgangle fatal
error a bit more
v
e
r
b
ose
.
commit
|
commitdiff
|
tree
2011-03-01
Ju
s
tin Lemk
u
l
S
m
all fixes to g_
d
ielectric d
e
scription to improve
.
.
.
commit
|
commitdiff
|
tree
2011-02-26
Justin
Lemkul
Another ty
p
o
.
commit
|
commitdiff
|
tree
2011-02-26
Jus
t
i
n
Lem
k
u
l
Fixe
d
some typos in mdp_o
p
t
.
html
commit
|
commitdiff
|
tree
2011-02-25
Ju
s
tin Lemk
u
l
Fixed t
y
p
o
in citation
.
commit
|
commitdiff
|
tree
2011-02-16
J
u
stin Lem
k
ul
Add -tu opt
i
on to g_hbond
.
commit
|
commitdiff
|
tree
2011-02-15
Jus
t
in Lemku
l
Sm
a
ll fix to improv
e
xpm2ps ou
t
put
commit
|
commitdiff
|
tree
2011-02-03
Justin Lemkul
Fixed a t
y
po
.
commit
|
commitdiff
|
tree
2011-01-24
J
u
s
t
in Lemkul
Va
r
ious small c
h
anges to th
e
man pages
.
commit
|
commitdiff
|
tree
2011-01-23
Ju
s
tin Le
m
kul
Smal
l
fix for
e
ditco
n
f related to formatting c
o
nsistency
.
commit
|
commitdiff
|
tree
2011-01-21
Justin Lemkul
Added g_pme_
e
rror to programs
.
txt
commit
|
commitdiff
|
tree
2011-01-21
Just
i
n
L
e
m
kul
More
minor form
a
t
t
ing/editorial fixes
f
or the ma
n
ual
.
commit
|
commitdiff
|
tree
2011-01-19
Just
i
n
L
emku
l
Fixes
t
o
g_
w
ham documentation
.
commit
|
commitdiff
|
tree
2011-01-19
Justin
L
e
m
k
u
l
To
n
s of tiny changes to document
a
tion
.
Manual looks
.
.
.
commit
|
commitdiff
|
tree
2011-01-19
Ju
s
tin Lemkul
Trivial
f
ixes to pr
o
gra
m
desc
r
iptio
n
s
.
commit
|
commitdiff
|
tree
2011-01-18
Justin
L
emkul
Fixes to the demo script
.
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemkul
Fixes
t
o methanol and mi
x
e
d demos
.
Issue ID #669
commit
|
commitdiff
|
tree
2011-01-17
Ju
s
tin Lemkul
Remo
v
ed non-exist
e
nt program and redundant inf
o
r
m
ation
.
.
.
commit
|
commitdiff
|
tree
2011-01-17
Justin
Lemkul
Various
e
d
i
t
orial and formatti
n
g fixes
commit
|
commitdiff
|
tree
2011-01-14
Justin Lem
k
u
l
Fi
x
e
s
to g
r
ompp
-
maxw
a
rn
d
ocu
m
entati
o
n
.
Issue ID #
6
27
commit
|
commitdiff
|
tree