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Removed unnecessary static declarations for command-line parsing
2017-05-14
J
ustin
Lemkul
Clar
i
fica
t
ions
t
o editc
o
nf help t
e
xt
.
commit
|
commitdiff
|
tree
2017-05-14
Justin Lemk
u
l
Clar
i
fication
s
to
e
ditconf help text
.
commit
|
commitdiff
|
tree
2016-10-03
Jus
t
i
n
Le
m
ku
l
Fix in
c
orr
e
c
t
charge in HIS
E
.
commit
|
commitdiff
|
tree
2015-10-18
Justin Lemkul
Rem
o
ved dihedrals from GLY
.
rtp entry
.
commit
|
commitdiff
|
tree
2015-08-14
Justin Le
m
kul
Avoid segmentation faul
t
in
g
mx chi
.
commit
|
commitdiff
|
tree
2015-05-05
Justin Lemkul
F
i
x for
t
rjconv preserving box d
i
mensions
.
commit
|
commitdiff
|
tree
2014-11-09
Justin
L
emkul
Rem
o
ved spuri
o
us GLY dihedr
a
l
in A
M
BER03
.
commit
|
commitdiff
|
tree
2014-09-10
Justin
L
e
m
kul
Added
f
lat-bottom cylind
r
ic
a
l re
s
tr
a
ints in x a
n
d y
.
commit
|
commitdiff
|
tree
2014-09-01
Justin Lemkul
Upda
t
e
d x-axis
labe
l
f
or g_wham
.
commit
|
commitdiff
|
tree
2014-05-20
Justin Lemkul
Improv
e
ments
to the g
_
l
i
e help description
.
commit
|
commitdiff
|
tree
2014-04-29
Justin Lemkul
Made ORCA com
p
ile
.
commit
|
commitdiff
|
tree
2014-04-10
Justin Lemkul
Fixe
d
typo in manual RE
A
DME
.
commit
|
commitdiff
|
tree
2014-04-09
Justin Lemkul
Fixed
MG
typo
i
n
residuetyp
e
s
.
dat
commit
|
commitdiff
|
tree
2014-01-29
J
u
stin Lemkul
Cl
a
ri
f
ied use of table
-
extensi
o
n
.
.
commit
|
commitdiff
|
tree
2014-01-21
J
ustin Lemkul
Added ASP
P
and GLUP to residu
e
types
.
dat
.
commit
|
commitdiff
|
tree
2013-07-25
Justin L
e
mkul
Updated dlist
.
c
to recog
n
iz
e
m
ore
atom names
.
commit
|
commitdiff
|
tree
2013-06-28
Jus
t
in Lemkul
Minor tweaks to qm_orca
.
c
commit
|
commitdiff
|
tree
2013-06-28
Justin Lemkul
F
i
xes to co
n
fig
.
h
.
cmakein to
set G
M
X
_
QMMM_ORCA
.
commit
|
commitdiff
|
tree
2013-05-30
Justin Lemku
l
Added GROMO
S
96 54A7 force field files
.
commit
|
commitdiff
|
tree
2013-05-16
Justin Lemkul
Fixed g_sgan
g
le leg
e
nds
.
commit
|
commitdiff
|
tree
2013-03-05
Justin
Lemkul
Fi
x
es for install guide pag
e
.
commit
|
commitdiff
|
tree
2013-01-09
J
ust
i
n Lemkul
Corrected gmxcheck output for
G
romos96 bonds
.
commit
|
commitdiff
|
tree
2013-01-05
Justin Le
m
kul
Removed reference
to nonexi
s
tent file in g_h
e
li
x
.
commit
|
commitdiff
|
tree
2013-01-03
J
u
stin
L
e
mkul
Fixed format
e
rror
i
n
online manual
.
commit
|
commitdiff
|
tree
2012-12-27
Justin Lemkul
Mi
n
o
r
fixes to g_ang
l
e help descri
p
tio
n
.
commit
|
commitdiff
|
tree
2012-06-15
Justin Lemkul
Simple pa
t
ch for openmm
_
wrapper
.
cpp
commit
|
commitdiff
|
tree
2011-04-04
Justin Le
m
kul
A few
m
ore add
i
tions to wman
.
c
to ac
c
ount f
o
r symbol
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
Ju
s
tin Lemku
l
Updated g_energy help informati
o
n
.
commit
|
commitdiff
|
tree
2011-03-24
Justi
n
L
e
mkul
Fixed inco
r
rect reference in g_tcaf
.
commit
|
commitdiff
|
tree
2011-03-23
J
u
s
tin Lemkul
Tons of small fixe
s
to documen
t
at
i
o
n
.
commit
|
commitdiff
|
tree
2011-03-22
Justin Lemkul
Lots
of editor
i
al
f
i
x
e
s
to descriptions, etc
.
to m
a
ke
.
.
.
commit
|
commitdiff
|
tree
2011-03-16
Justin Lemkul
Mad
e
g_sgangle f
a
t
a
l
error
a
bit more
verbose
.
commit
|
commitdiff
|
tree
2011-03-01
J
ust
i
n
L
em
k
ul
Sma
l
l fixe
s
to
g_d
i
electric description to im
p
rove
.
.
.
commit
|
commitdiff
|
tree
2011-02-26
Justin Lemkul
Another typo
.
commit
|
commitdiff
|
tree
2011-02-26
Justin Lemkul
Fixed some typos in mdp_opt
.
ht
m
l
commit
|
commitdiff
|
tree
2011-02-25
Justin Lemkul
Fixed typo in c
i
tation
.
commit
|
commitdiff
|
tree
2011-02-16
Ju
s
tin
L
emkul
Add -tu optio
n
to
g
_hbond
.
commit
|
commitdiff
|
tree
2011-02-15
Justin
Le
m
kul
Small fix to improve xpm2ps
o
utput
commit
|
commitdiff
|
tree
2011-02-03
Jus
t
in Lem
k
ul
Fi
x
e
d
a
t
y
p
o
.
commit
|
commitdiff
|
tree
2011-01-24
Justin Lemk
u
l
Va
r
ious sm
a
ll ch
a
ng
e
s t
o
the
man page
s
.
commit
|
commitdiff
|
tree
2011-01-23
Justin
L
emk
u
l
Small fix for
e
d
itc
o
n
f related to forma
t
ting consistency
.
commit
|
commitdiff
|
tree
2011-01-21
Jus
t
in Lemkul
Added g_pme_er
r
or t
o
pr
o
grams
.
txt
commit
|
commitdiff
|
tree
2011-01-21
Just
i
n Le
m
kul
More minor fo
r
mat
t
in
g
/edi
t
orial
f
i
x
es
for th
e
manual
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Lem
k
ul
Fixes to g_
w
ham docu
m
enta
t
ion
.
commit
|
commitdiff
|
tree
2011-01-19
Justin L
e
mkul
T
o
n
s of tiny changes to documentation
.
Manual looks
.
.
.
commit
|
commitdiff
|
tree
2011-01-19
Ju
s
tin Lemkul
Trivial fixe
s
to program des
c
ri
p
tions
.
commit
|
commitdiff
|
tree
2011-01-18
Justin
L
em
k
ul
Fixes to the
d
emo script
.
commit
|
commitdiff
|
tree
2011-01-17
Justin
Lemkul
Fixes to methanol and
mixed demos
.
Issue ID
#669
commit
|
commitdiff
|
tree
2011-01-17
Justin Lem
k
u
l
Remove
d
n
on-existent program and redundant information
.
.
.
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemku
l
Various ed
i
t
orial and forma
t
t
ing f
i
xes
commit
|
commitdiff
|
tree
2011-01-14
Justin Lemk
u
l
Fix
e
s to g
r
o
m
pp -maxwarn documentation
.
Issue ID
#
627
commit
|
commitdiff
|
tree