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Add mdp option check with decoupled modes
2016-09-28
Joc
h
en Hu
b
Fixed b
u
g in gmx wham for reading pul
l
x fi
l
es
.
commit
|
commitdiff
|
tree
2016-08-25
Jochen
H
ub
F
ixed bug in gmx insert-molecule
s
.
commit
|
commitdiff
|
tree
2016-07-08
Jochen Hub
Updated g_wham for the new p
u
ll s
e
tup
commit
|
commitdiff
|
tree
2015-05-12
Jochen Hub
Open
M
P parallelization of
g_wham
commit
|
commitdiff
|
tree
2014-01-09
Joc
h
en
Hub
Fi
x
ed non-
w
o
r
k
ing flat-bottom posres
code
.
commit
|
commitdiff
|
tree
2012-12-11
Jochen Hub
E
x
tend
e
d genb
o
x to insert
m
olecules at given po
s
itio
n
s
commit
|
commitdiff
|
tree
2012-07-12
Jochen Hub
Flat-bottomed positio
n
r
e
straint
s
commit
|
commitdiff
|
tree
2012-07-10
Jochen
Hub
Extended g_wham to allow the
s
election
o
f
t
he
p
ull
.
.
.
commit
|
commitdiff
|
tree
2012-07-09
Jochen Hub
Fi
x
ed bug
in sfac
t
o
r
.
c that makes g_r
d
f -sq give wrong
.
.
.
commit
|
commitdiff
|
tree
2011-09-16
Jochen Hub
g_wham: f
i
xed pullx
.
xvg readin
g
issue wi
t
h pull_geometry
.
.
.
commit
|
commitdiff
|
tree
2011-09-16
Jochen Hub
g_wham: fixed pullx
.
xvg reading issue with p
u
ll_geom
e
try
.
.
.
commit
|
commitdiff
|
tree