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fixed pull constraining doing nothing, fixes #825
2011-10-13
Berk Hess
fixed p
u
ll c
o
nstraining
doing nothing, fixes #825
commit
|
commitdiff
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tree
2011-10-06
B
e
rk Hess
fixed segv
i
n parallel replica
excha
n
g
e
commit
|
commitdiff
|
tree
2011-09-19
Be
r
k
Hess
added grom
p
p che
c
k for pos
r
es+pc
o
upl+refcoo
r
d_
s
caling=no
commit
|
commitdiff
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tree
2011-09-15
Berk Hess
mdrun -multi -cpi now che
c
ks if simulations parts
are
.
.
.
commit
|
commitdiff
|
tree
2011-09-15
Berk Hess
M
er
g
e "Introduce
d
d
i
fferent options for pdb2gm
x
t
ermini
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Berk H
e
s
s
M
erge "Fix
p
db2
g
mx
-deb
u
g and
.
hdb files"
into relea
s
e
.
.
.
commit
|
commitdiff
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tree
2011-09-13
Berk Hess
Merge
"Fix
e
d charge groups of CHARMM
2
7 DNA
/
RNA termi
n
al
.
.
.
commit
|
commitdiff
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tree
2011-09-13
Berk Hess
Merge
"Added
A
CE and CT
3
to CHARMM27 a
m
inoacids
.
rtp
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
B
erk Hes
s
Merg
e
"Remove
segv
in xpm2ps, fi
x
es #611" into r
e
lease
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Ber
k
Hess
fixed grom
p
p
i
ss
u
e w
i
th decoupl
i
ng
and virtual sites
commit
|
commitdiff
|
tree
2011-09-05
Berk
H
es
s
made
a
llocation for LINCS with parti
c
le d
e
composition
.
.
.
commit
|
commitdiff
|
tree
2011-08-29
B
e
rk H
e
s
s
fixed
i
ncorr
e
c
t
pV te
r
m in the energy
file
commit
|
commitdiff
|
tree
2011-08-22
Berk Hess
fixed operat
i
on on closed file structur
e
in gmx_rmsdist
.
.
.
commit
|
commitdiff
|
tree
2011-08-22
Berk
H
e
s
s
fixed poss
i
ble i
n
finite lo
o
p wh
e
n
reading atom
t
y
pe
s
.
.
.
commit
|
commitdiff
|
tree
2011-08-15
Berk Hess
fixe
d
incor
r
e
ct po
i
n
t
er assignm
e
nt
i
n g_proton
a
te
commit
|
commitdiff
|
tree
2011-08-12
B
erk Hess
im
p
lement
e
d f
u
l
l exclusion support fo
r
the charge-group
.
.
.
commit
|
commitdiff
|
tree
2011-08-11
Ber
k
H
e
s
s
Mer
g
e "Make sure that ftell w
o
rks
c
orrectly for files
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Berk H
e
ss
removed npmeno
d
e
s
m
i
s
m
atch
warni
n
g
in re
a
d_checkpoint
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Berk
H
e
s
s
r
e
m
oved fatal_
e
rror f
o
r prime
nu
m
ber
of nodes when
.
.
.
commit
|
commitdiff
|
tree