repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Test clang on ARM in nightly matrix
2017-05-14
J
u
stin Le
m
kul
Clari
f
ications
to edit
c
on
f
h
e
l
p
text
.
commit
|
commitdiff
|
tree
2017-05-14
J
u
stin Lemkul
Clarifi
c
ations
to editco
n
f
help te
x
t
.
commit
|
commitdiff
|
tree
2016-10-03
Justin Lemkul
F
i
x
incorrec
t
charge
i
n HIS
E
.
commit
|
commitdiff
|
tree
2015-10-18
Ju
s
tin Lemkul
Removed dihe
d
ra
l
s from
GLY
.
r
t
p entry
.
commit
|
commitdiff
|
tree
2015-08-14
Justin L
e
mkul
Avoid segmentation fault
in
gmx
chi
.
commit
|
commitdiff
|
tree
2015-05-05
Justin Lemkul
F
i
x for trj
c
onv preserving b
o
x
d
i
m
e
nsions
.
commit
|
commitdiff
|
tree
2014-11-09
J
u
s
t
in Lemku
l
Re
m
o
v
ed spuri
o
u
s
GLY dihedral in AMBE
R
03
.
commit
|
commitdiff
|
tree
2014-09-10
Ju
s
tin
Le
m
kul
Add
e
d flat-bott
o
m cylindrical restraints i
n
x
and y
.
commit
|
commitdiff
|
tree
2014-09-01
Justin
L
emkul
U
p
dated x-a
x
is lab
e
l fo
r
g_wha
m
.
commit
|
commitdiff
|
tree
2014-05-20
Jus
t
in Lemkul
Improvements to the g
_
lie
h
e
lp
d
escription
.
commit
|
commitdiff
|
tree
2014-04-29
Justi
n
Le
m
kul
Mad
e
ORC
A
compile
.
commit
|
commitdiff
|
tree
2014-04-10
Justin Lemkul
Fi
x
ed typ
o
in manual README
.
commit
|
commitdiff
|
tree
2014-04-09
Justin L
e
mkul
Fi
x
ed M
G
t
y
po in residu
e
t
y
pes
.
dat
commit
|
commitdiff
|
tree
2014-01-29
Justin
Lemkul
C
larified use of table-extension
.
.
commit
|
commitdiff
|
tree
2014-01-21
Justin Lemkul
Add
e
d ASPP and GLUP to residuetype
s
.
dat
.
commit
|
commitdiff
|
tree
2013-07-25
J
u
st
i
n Lemkul
U
p
d
a
ted dl
i
s
t
.
c to rec
o
gnize mor
e
atom names
.
commit
|
commitdiff
|
tree
2013-06-28
Justin L
e
mkul
Mi
n
or tweaks
t
o qm_or
c
a
.
c
commit
|
commitdiff
|
tree
2013-06-28
Jus
t
in Lemkul
Fixes to co
n
f
ig
.
h
.
cma
k
ein
t
o set GMX_QMMM_ORCA
.
commit
|
commitdiff
|
tree
2013-05-30
Justin
L
emkul
Added GROMOS9
6
54A7 force fie
l
d
files
.
commit
|
commitdiff
|
tree
2013-05-16
Justin L
e
m
kul
Fix
e
d
g
_sgangle
l
e
gends
.
commit
|
commitdiff
|
tree
2013-03-05
Justin
L
em
k
u
l
Fixes for install guide page
.
commit
|
commitdiff
|
tree
2013-01-09
Justin Lemku
l
Correct
e
d gmxcheck
o
u
tput for G
r
omos96
bonds
.
commit
|
commitdiff
|
tree
2013-01-05
Justin Lemkul
Remo
v
ed
r
e
ference to nonexistent
f
ile in g_heli
x
.
commit
|
commitdiff
|
tree
2013-01-03
Ju
s
tin Lemkul
Fixed format error in
o
n
l
i
n
e manual
.
commit
|
commitdiff
|
tree
2012-12-27
Justin
Lemku
l
Min
o
r fixes to g_ang
l
e
help des
c
ription
.
commit
|
commitdiff
|
tree
2012-06-15
Justin
L
emkul
Simple
p
atch fo
r
openmm_wra
p
per
.
cpp
commit
|
commitdiff
|
tree
2011-04-04
Justin Lemkul
A few
m
o
re additions to wman
.
c to account for
s
ymbol
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
J
u
stin L
e
mkul
Upda
t
ed g_ene
r
gy he
l
p i
n
for
m
ation
.
commit
|
commitdiff
|
tree
2011-03-24
Jus
t
in Lemkul
Fixed i
n
cor
r
e
c
t
r
efer
e
nce
i
n g_tcaf
.
commit
|
commitdiff
|
tree
2011-03-23
Justin Lemku
l
Tons of small fixes to documentatio
n
.
commit
|
commitdiff
|
tree
2011-03-22
Just
i
n Lemku
l
Lots of edito
r
ial fixes to descriptions, etc
.
to m
a
ke
.
.
.
commit
|
commitdiff
|
tree
2011-03-16
Justin Lemkul
M
ad
e
g
_sgangle fatal error a bit more verbose
.
commit
|
commitdiff
|
tree
2011-03-01
Just
i
n Lemkul
Sma
l
l
fixe
s
to g
_
d
ielect
r
ic descrip
t
ion to improve
.
.
.
commit
|
commitdiff
|
tree
2011-02-26
Ju
s
tin Lemku
l
Another typo
.
commit
|
commitdiff
|
tree
2011-02-26
J
ustin
Lemkul
Fixed some t
y
pos in mdp_
o
p
t
.
html
commit
|
commitdiff
|
tree
2011-02-25
Just
i
n
L
emkul
Fixed
t
y
p
o in
ci
t
ation
.
commit
|
commitdiff
|
tree
2011-02-16
Justin Lemkul
A
dd
-tu option
t
o g_hbond
.
commit
|
commitdiff
|
tree
2011-02-15
Justin
L
e
m
kul
Sm
a
ll fix to improve xp
m
2ps output
commit
|
commitdiff
|
tree
2011-02-03
Justin Lemkul
Fixed a typo
.
commit
|
commitdiff
|
tree
2011-01-24
Justin
Lemkul
Variou
s
sm
a
ll ch
a
nges to the man pages
.
commit
|
commitdiff
|
tree
2011-01-23
Jus
t
in Lemkul
Small fix for
edi
t
conf related to forma
t
ting consistency
.
commit
|
commitdiff
|
tree
2011-01-21
Jus
t
in
L
emkul
Added g_pme_err
o
r to programs
.
txt
commit
|
commitdiff
|
tree
2011-01-21
Justi
n
Lemkul
More mi
n
or form
a
t
t
i
ng/edito
r
ial fixes for the manual
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Lemku
l
F
i
x
es
to
g_wham documentation
.
commit
|
commitdiff
|
tree
2011-01-19
Justin Lemkul
Tons
of tiny changes to do
c
umentat
i
on
.
Manual looks
.
.
.
commit
|
commitdiff
|
tree
2011-01-19
Just
i
n Lemku
l
Trivial fixes to program descriptions
.
commit
|
commitdiff
|
tree
2011-01-18
Jus
t
i
n Le
m
kul
Fixe
s
to
the demo script
.
commit
|
commitdiff
|
tree
2011-01-17
Ju
s
ti
n
Lemkul
Fixes to methanol and mixed demos
.
Issue I
D
#669
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemkul
Removed non-ex
i
sten
t
pr
o
gram a
n
d red
u
ndant in
f
ormatio
n
.
.
.
commit
|
commitdiff
|
tree
2011-01-17
Justin Lemkul
Va
r
ious editor
i
al and f
o
rmatting fixes
commit
|
commitdiff
|
tree
2011-01-14
Justin Lemkul
F
ixes to grompp -maxwarn
d
ocumentat
i
o
n
.
Issue ID #
6
27
commit
|
commitdiff
|
tree