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
Version 2018.5
2019-01-22
P
aul
Bauer
V
e
rsion 2
0
18
.
5
commit
|
commitdiff
|
tree
2019-01-16
Pau
l
Baue
r
Fix memory leak in
so
l
vate
commit
|
commitdiff
|
tree
2018-11-29
Pa
u
l Bauer
Fi
x
ene
r
gy hist
o
ry re
a
di
n
g
commit
|
commitdiff
|
tree
2018-11-12
P
a
ul Baue
r
Up
d
ate to prepa
r
e f
o
r 2
0
18
.
5 point rele
a
s
e
commit
|
commitdiff
|
tree
2018-11-12
Paul Bauer
Ver
s
ion 2018
.
4
commit
|
commitdiff
|
tree
2018-11-08
Paul
Bauer
Gi
v
e erro
r
w
hen reru
n
wi
t
h
identica
l
file name
s
commit
|
commitdiff
|
tree
2018-11-08
Paul Bauer
Issu
e
fatal error if checkpoint does not suit th
e
.
tpr
commit
|
commitdiff
|
tree
2018-11-08
Paul Baue
r
Actually fix gmx h
e
l
ix
s
egmenta
t
ion fault
commit
|
commitdiff
|
tree
2018-11-01
Paul Bau
e
r
Properly define Bromine
in amber forcefi
e
lds
commit
|
commitdiff
|
tree
2018-10-18
Paul Ba
u
er
Fix s
e
g
m
entation fault in gmx helix
commit
|
commitdiff
|
tree
2018-10-11
P
a
ul Bauer
Add sho
r
t
security notice
commit
|
commitdiff
|
tree
2018-09-27
Paul Bauer
Add mindist output file check
commit
|
commitdiff
|
tree
2018-08-23
P
aul Bauer
Update
t
o prepare for 2018
.
4
p
oint
rel
e
ase
commit
|
commitdiff
|
tree
2018-08-23
Paul Ba
u
er
Version 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
P
a
u
l
B
auer
Fix trjconv when running without a structure fil
e
commit
|
commitdiff
|
tree
2018-08-01
Paul Baue
r
F
i
x
-
s
kip op
t
ion for gmx rms
commit
|
commitdiff
|
tree
2018-07-30
Paul Ba
u
e
r
F
i
x
bfactor output
commit
|
commitdiff
|
tree
2018-06-08
P
a
ul Bauer
Fix gmx solvate with mu
l
tiple solven
t
molecule ty
p
es
commit
|
commitdiff
|
tree
2018-06-06
Paul Bauer
Fix
P
QR
file output
commit
|
commitdiff
|
tree
2018-05-30
P
aul
B
auer
Disallow use
o
f empty bo
x
informa
t
ion in solvent f
i
les
commit
|
commitdiff
|
tree
2018-04-18
Pau
l
B
a
u
e
r
R
e
m
ove
o
bs
o
lete varia
b
le p
r
ec gro file
o
utput
commit
|
commitdiff
|
tree
2018-01-04
Paul Bauer
Fix
g
m
x
msd when u
s
ing C
O
M
rem
o
v
al and molecule
s
commit
|
commitdiff
|
tree
2018-01-03
Pau
l
Bau
e
r
Correct dihedral restraint section in Manual
commit
|
commitdiff
|
tree
2017-12-14
Paul Bauer
Re
m
o
v
e PB
C
before gener
a
ti
n
g TPR with grou
p
s
c
heme
commit
|
commitdiff
|
tree
2017-12-11
Paul Bauer
Fewe
r
mes
s
ages when -cpi file is not pre
s
e
nt
commit
|
commitdiff
|
tree
2017-12-11
Pau
l
Baue
r
Disall
o
w combination of PME-u
s
e
r and verle
t
cut
o
ff
commit
|
commitdiff
|
tree
2017-12-08
Paul
B
aue
r
Add inf
o
rmation r
e
gardi
n
g xlc
c
o
mpiler
commit
|
commitdiff
|
tree
2017-11-27
Paul Bau
e
r
A
d
d
G
P
U tas
k
informatio
n
to user-guide
commit
|
commitdiff
|
tree
2017-11-21
Pau
l
Bauer
First
g
en
e
ral add
i
tions to the do
c
umentati
o
n
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
S
mall change
t
o LaTeX
m
an
u
al
g
e
neration
commit
|
commitdiff
|
tree
2017-11-01
P
a
ul Bauer
Fixing missing referen
c
es in web doc
u
mentation
commit
|
commitdiff
|
tree
2017-10-11
Paul
Bauer
Ch
a
n
ge to modules for build of web
d
ocum
e
ntation
commit
|
commitdiff
|
tree