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Actually fix gmx helix segmentation fault
2018-11-08
Paul Bau
e
r
Act
u
al
l
y fix gmx
helix segmentat
i
on f
a
ult
commit
|
commitdiff
|
tree
2018-11-01
Paul Bauer
P
r
operly define Bromine in amber forcefields
commit
|
commitdiff
|
tree
2018-10-18
Paul Bauer
F
ix seg
m
entation faul
t
in gmx
heli
x
commit
|
commitdiff
|
tree
2018-10-11
Paul Bauer
Add
short secur
i
ty
n
otice
commit
|
commitdiff
|
tree
2018-09-27
Paul Ba
u
e
r
Add m
i
ndi
s
t output file
chec
k
commit
|
commitdiff
|
tree
2018-08-23
Paul B
a
uer
Update to prep
a
re for
201
8
.
4 point relea
s
e
commit
|
commitdiff
|
tree
2018-08-23
Paul Bau
e
r
Versi
o
n 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Paul Bauer
Fix t
r
jconv w
h
en running without a structure file
commit
|
commitdiff
|
tree
2018-08-01
P
a
ul Bauer
Fix -sk
i
p optio
n
fo
r
gmx rms
commit
|
commitdiff
|
tree
2018-07-30
Paul Bauer
Fix bfact
o
r output
commit
|
commitdiff
|
tree
2018-06-08
P
a
ul Bauer
Fix g
m
x solvate wi
t
h multiple solvent mo
l
ecule types
commit
|
commitdiff
|
tree
2018-06-06
Pa
u
l Bauer
Fix
PQR
f
ile output
commit
|
commitdiff
|
tree
2018-05-30
P
aul Bauer
D
isallow use of empty
b
ox in
f
o
rmation
i
n so
l
v
ent
files
commit
|
commitdiff
|
tree
2018-04-18
Paul Bauer
Re
m
ove obsolete va
r
i
able
prec gro fil
e
output
commit
|
commitdiff
|
tree
2018-01-04
Paul Ba
u
er
F
ix
gmx msd when usi
n
g CO
M
removal and
m
o
l
ec
u
les
commit
|
commitdiff
|
tree
2018-01-03
Paul Bauer
Correct dihe
d
ral
r
e
s
traint s
e
ct
i
on in
Manua
l
commit
|
commitdiff
|
tree
2017-12-14
Paul Bauer
Rem
o
ve
P
B
C before g
e
nerating TPR with group s
c
heme
commit
|
commitdiff
|
tree
2017-12-11
P
aul Bauer
F
e
wer
mes
s
ages when -cpi file is not presen
t
commit
|
commitdiff
|
tree
2017-12-11
Paul Bauer
Disall
o
w
c
omb
i
nation of P
M
E-user and
v
erlet c
u
tof
f
commit
|
commitdiff
|
tree
2017-12-08
Paul B
a
u
e
r
Add
i
n
f
orm
a
tion regarding xlc compiler
commit
|
commitdiff
|
tree
2017-11-27
Paul Bauer
Add GPU task in
f
ormation
to user-guide
commit
|
commitdiff
|
tree
2017-11-21
Pa
u
l Bau
e
r
First general add
i
tions t
o
t
h
e d
o
cument
a
tion
commit
|
commitdiff
|
tree
2017-11-01
Pau
l
Ba
u
er
Sma
l
l change to
L
a
TeX manual g
e
neration
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
Fixi
n
g mis
s
i
n
g
r
e
f
erences in web documentation
commit
|
commitdiff
|
tree
2017-10-11
Paul
Bauer
Change to mod
u
l
es for bui
l
d
o
f
web
d
ocu
m
entation
commit
|
commitdiff
|
tree