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fixed mdrun verbosity with OpenMM build
2010-03-11
Szil
a
rd Pall
fix
e
d
m
dru
n
verbosity with OpenMM bu
i
ld
commit
|
commitdiff
|
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2010-03-11
S
z
il
a
rd
Pall
fixe
d
a missing
c
omma and a typo in openmm_wrap
p
e
r
commit
|
commitdiff
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tree
2010-03-11
Rossen
Apostolov
E
n
albed
-
m
axh opti
o
n f
o
r usage
with OpenMM b
i
naries
commit
|
commitdiff
|
tree
2010-03-11
R
ossen
A
post
o
lov
Cle
a
ned u
p
d
o
_md_openmm
.
commit
|
commitdiff
|
tree
2010-03-11
Sz
i
lard Pall
Delete src/kernel/
d
o
_md_
o
p
e
nmm_nopa
t
ch
.
h, it's not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
S
z
i
l
ard Pall
Minor
cleanup, some rea
r
rangaments, and commenting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Rev
e
rted stupid change
i
n
C
M
aleLists
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Renamed md_o
p
e
n
m
m
in
t
o openmm_w
r
apper, and do_
m
d_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
R
ossen Apostolov
Rew
o
rked the integrator and thermos
t
at opt
i
ons
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apostolov
Fixed th
e
wrong output time frames
commit
|
commitdiff
|
tree
2010-03-11
Rossen
Ap
o
stolov
d
o
_m
d
_ope
n
nmm
.
h
(a
k
a patc
h
e
d) now works
b
u
t the ti
m
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apo
s
tolov
Initial p
o
rtin
g
, do_md_
o
pen
m
m_nopatch
.
h i
s
used
.
commit
|
commitdiff
|
tree
2009-10-02
R
ossen Apostolov
U
s
ers are n
o
w refe
r
ed
to th
e
n
ew website in case of
.
.
.
commit
|
commitdiff
|
tree
2009-08-17
Ros
s
en Apostolov
Fixed incor
r
e
c
t sca
l
in
g
of force
s
in reciproc
a
l space
.
.
.
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|
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|
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