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Added missing .mdp file documentation for the enforced rotation module
2017-05-14
Jus
t
in Lem
k
ul
C
larifi
c
atio
n
s
to edit
c
onf help
text
.
commit
|
commitdiff
|
tree
2016-10-03
Justin L
e
mkul
Fix
inc
o
rrect charge
in HISE
.
commit
|
commitdiff
|
tree
2015-10-18
Justin Lem
k
ul
R
e
mo
v
e
d dihed
r
als
from GLY
.
rtp entry
.
commit
|
commitdiff
|
tree
2015-08-14
Justin Lem
k
u
l
Avoid
s
egm
e
n
t
a
ti
o
n fa
u
lt in gmx
c
hi
.
commit
|
commitdiff
|
tree
2015-05-05
Justin Le
m
ku
l
Fix
f
o
r trjconv
p
r
e
serving box dimen
s
i
ons
.
commit
|
commitdiff
|
tree
2014-11-09
J
ust
i
n Lemkul
Removed spu
r
ious GLY dihedral
i
n AMBE
R
03
.
commit
|
commitdiff
|
tree
2014-09-10
Justi
n
Lemkul
Add
e
d
f
lat-bottom
c
yl
i
ndrical restra
i
nts i
n
x and y
.
commit
|
commitdiff
|
tree
2014-09-01
Justin Lemkul
Update
d
x
-
axis la
b
el for g_w
h
am
.
commit
|
commitdiff
|
tree
2014-05-20
Jus
t
i
n
L
e
m
k
ul
Imp
r
ovements to
t
he g_li
e
hel
p
description
.
commit
|
commitdiff
|
tree
2014-04-29
J
u
stin Lemkul
Made ORCA compile
.
commit
|
commitdiff
|
tree
2014-04-10
Ju
s
tin Lemkul
Fixed typo in manual README
.
commit
|
commitdiff
|
tree
2014-04-09
Justin Lemkul
Fixed MG
t
ypo i
n
r
es
i
duet
y
pes
.
dat
commit
|
commitdiff
|
tree
2014-01-29
Just
i
n
L
emku
l
Cla
r
i
fied us
e
of table-exten
s
ion
.
.
commit
|
commitdiff
|
tree
2014-01-21
J
u
s
tin Lemkul
Added
A
SPP and GLUP to residuetype
s
.
dat
.
commit
|
commitdiff
|
tree
2013-07-25
Jus
t
in Lemkul
U
p
da
t
ed dlist
.
c to recognize more at
o
m na
m
es
.
commit
|
commitdiff
|
tree
2013-06-28
J
u
stin Lemkul
Minor
tweaks to qm_orca
.
c
commit
|
commitdiff
|
tree
2013-06-28
J
ustin Lem
k
u
l
Fixes to config
.
h
.
c
m
akein t
o
se
t
GMX_
Q
MM
M
_O
R
CA
.
commit
|
commitdiff
|
tree
2013-05-30
Jus
t
in Lemkul
A
dde
d
GROMOS96 54A7 fo
r
ce field files
.
commit
|
commitdiff
|
tree
2013-05-16
Just
i
n Lemkul
Fi
x
ed g_
s
gan
g
le legends
.
commit
|
commitdiff
|
tree
2013-03-05
Jus
t
in Lemkul
Fixes for ins
t
all guide page
.
commit
|
commitdiff
|
tree
2013-01-09
J
ustin Lemkul
C
o
rrect
e
d
g
m
x
check out
p
ut for Gromo
s
96
b
ond
s
.
commit
|
commitdiff
|
tree
2013-01-05
J
ust
i
n Lemkul
R
emoved
refer
e
nce to nonex
i
st
e
nt file in g_helix
.
commit
|
commitdiff
|
tree
2013-01-03
J
ustin Lemkul
Fixe
d
f
o
rmat
e
rror
in online manual
.
commit
|
commitdiff
|
tree
2012-12-27
Just
i
n Lem
k
ul
M
inor
f
ixes
to g_angle help description
.
commit
|
commitdiff
|
tree
2012-06-15
Jus
t
in Le
m
k
u
l
S
imp
l
e patc
h
f
o
r
openmm_wrapper
.
cpp
commit
|
commitdiff
|
tree
2011-04-04
Justin
L
emkul
A
f
ew more additions to wman
.
c to account for
symbo
l
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
Jus
t
i
n L
e
mk
u
l
Updated g_energy help i
n
fo
r
m
a
tion
.
commit
|
commitdiff
|
tree
2011-03-24
Justin Lemkul
Fixed incorre
c
t
r
e
f
e
re
n
c
e in
g_tcaf
.
commit
|
commitdiff
|
tree
2011-03-23
Justin Lemkul
T
o
n
s
of small fixes to documen
t
a
tion
.
commit
|
commitdiff
|
tree
2011-03-22
Jus
t
in Lemkul
Lots of editor
i
al
fixes to desc
r
iptions, etc
.
to make
.
.
.
commit
|
commitdiff
|
tree
2011-03-16
Justin
Le
m
kul
Made g_sgang
l
e fatal error a bit more verbose
.
commit
|
commitdiff
|
tree
2011-03-01
Justin Lemkul
S
m
a
ll fixes to g_dielectric d
e
scrip
t
ion to imp
r
ove
.
.
.
commit
|
commitdiff
|
tree
2011-02-26
Justin Lemkul
A
n
other typo
.
commit
|
commitdiff
|
tree
2011-02-26
Ju
s
t
i
n Lemk
u
l
Fixed some typ
o
s in mdp_opt
.
htm
l
commit
|
commitdiff
|
tree
2011-02-25
Justin
Lemkul
Fixed typo in citatio
n
.
commit
|
commitdiff
|
tree
2011-02-16
Justin Lemkul
Add -tu op
t
ion to
g_hb
o
nd
.
commit
|
commitdiff
|
tree
2011-02-15
J
u
st
i
n Lemkul
S
mall
fix
to improve xpm2p
s
output
commit
|
commitdiff
|
tree
2011-02-03
Just
i
n Lemkul
Fixed a typo
.
commit
|
commitdiff
|
tree
2011-01-24
Just
i
n Lemkul
Various smal
l
changes to the man
p
a
g
es
.
commit
|
commitdiff
|
tree
2011-01-23
J
ustin Lem
k
ul
Small fix for editconf
r
elate
d
to formatting
consist
e
ncy
.
commit
|
commitdiff
|
tree
2011-01-21
Justin
Lemkul
Added g_pme_err
o
r to
programs
.
txt
commit
|
commitdiff
|
tree
2011-01-21
Justin Lemkul
M
ore
m
inor fo
r
matting/editorial fixes fo
r
the man
u
a
l
.
commit
|
commitdiff
|
tree
2011-01-19
J
u
stin Lemkul
F
ixes to g_wham do
c
u
m
entation
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Lemkul
Tons of ti
n
y cha
n
ges to
documentation
.
Manual looks
.
.
.
commit
|
commitdiff
|
tree
2011-01-19
Justin
Lemkul
T
rivial fixes to p
r
ogr
a
m
descriptions
.
commit
|
commitdiff
|
tree
2011-01-18
Ju
s
t
i
n L
e
mk
u
l
Fixes
to the demo scrip
t
.
commit
|
commitdiff
|
tree
2011-01-17
Jus
t
in Lemkul
Fi
x
es
t
o me
t
hano
l
and
m
ixed demos
.
Issue
I
D #669
commit
|
commitdiff
|
tree
2011-01-17
Justin Lem
k
ul
Removed no
n
-exis
t
ent pro
g
ram an
d
redund
a
nt i
n
formation
.
.
.
commit
|
commitdiff
|
tree
2011-01-17
Just
i
n Lemku
l
Various e
d
itorial and f
o
rma
t
ting fixes
commit
|
commitdiff
|
tree
2011-01-14
Jus
t
i
n Lemkul
Fixe
s
to grompp
-
maxwarn
docume
n
tation
.
I
s
su
e
I
D #627
commit
|
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|
tree