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Moved pull params to mdtypes/pull-params.h
2015-11-03
J
ames
W
.
Barnett
O
u
tput replica exchange orde
r
d
e
scr
i
ption
to de
b
ug
commit
|
commitdiff
|
tree
2015-10-12
James W
.
Barnett
gmx wham: Us
e
m
acros f
o
r units and
c
o
n
v
ersi
o
ns
.
commit
|
commitdiff
|
tree
2015-10-11
Jam
e
s W
.
Barnett
User guide: Update spellin
g
, add
s
ome interna
l
refs
commit
|
commitdiff
|
tree
2015-10-08
J
ames W
.
Bar
n
ett
gmx wham: Cha
n
ge 'g_w
h
am'
to 'g
m
x wham'
.
commit
|
commitdiff
|
tree
2015-10-06
James W
.
Barnett
Upd
a
te
E
I_MD to
u
se EI_RANDOM
.
Als
o
use E
I
_MD
commit
|
commitdiff
|
tree
2015-10-06
James W
.
Barnett
Note when pcoupl or tcoupl ar
e
aut
o
s
et t
o
no
commit
|
commitdiff
|
tree
2015-10-05
J
am
e
s W
.
Barne
t
t
Add mor
e
info to header for processed mdp files
commit
|
commitdiff
|
tree
2015-10-05
James
W
.
Barnett
R
e
m
ove
l
ambda fro
m
p
r
in
t
_
e
bin_header
.
commit
|
commitdiff
|
tree
2015-10-05
Jam
e
s W
.
Barnett
Tem
p
o
r
ary file tw
e
aks
.
commit
|
commitdiff
|
tree
2015-09-11
James W
.
Barne
t
t
A
d
d
m
i
s
sing f
a
ctor in outp
u
t of pull dist er
r
or
commit
|
commitdiff
|
tree
2015-09-05
James W
.
Barnett
Validate strings c
o
nverted to numb
e
rs in mdp f
i
les
commit
|
commitdiff
|
tree
2015-08-14
James
W
.
Barnett
Don't let cmake fin
d
Python 3
.
commit
|
commitdiff
|
tree
2015-08-10
James W
.
Ba
r
nett
Fix som
e
stu
f
f in user and install
g
uide
commit
|
commitdiff
|
tree
2015-08-08
J
a
m
e
s W
.
Barnett
Fix some phrase
s
that were not appearing in
m
a
nual
commit
|
commitdiff
|
tree
2015-07-15
Ja
m
es W
.
Barnet
t
I
mplement
zs
h
shell c
o
mp
l
e
tions
.
commit
|
commitdiff
|
tree
2015-07-14
James W
.
Barnett
Updat
e
example o
l
d mdp file
in user guide
.
commit
|
commitdiff
|
tree
2015-07-13
J
ames
W
.
Barnett
Fix spell
i
ng err
o
rs in user guide
.
commit
|
commitdiff
|
tree