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OpenMM: "md" option is now accepted.
2010-03-27
Ros
s
en Apostolov
O
p
enM
M
:
"
md" option is now
ac
c
e
pted
.
commit
|
commitdiff
|
tree
2010-03-24
R
ossen
Apo
s
tolov
A
llowi
n
g als
o
CUDA vers
i
o
n
s
later than 2
.
3
.
commit
|
commitdiff
|
tree
2010-03-24
Rosse
n
Apostolov
Signa
l
ha
n
dling is now enabl
e
d
for the
o
p
e
nmm platform
.
commit
|
commitdiff
|
tree
2010-03-17
Rossen Apostolov
o
pen
m
m
:
some cl
e
anup in md_o
p
e
nmm
.
c
a
nd
m
dru
n
.
c
commit
|
commitdiff
|
tree
2010-03-12
Rossen Apostol
o
v
En
a
bled chec
k
p
oints in Open
M
M
.
commit
|
commitdiff
|
tree
2010-03-12
Rossen Apostol
o
v
Autom
a
tically disable
threa
d
s
fo
r
OpenM
M
build
s
.
commit
|
commitdiff
|
tree
2010-03-11
R
o
ssen Apos
t
olov
Va
r
ious f
i
xes
.
commit
|
commitdiff
|
tree
2010-03-11
Rosse
n
Apost
o
lo
v
Small fixes in mdrun desc
.
;
enab
l
e
periodic molecules
commit
|
commitdiff
|
tree
2010-03-11
R
o
ssen Apos
t
olov
Enalbed
-
maxh option for usage with Op
e
nMM b
i
n
aries
commit
|
commitdiff
|
tree
2010-03-11
R
ossen
A
postol
o
v
Cle
a
ne
d
up
d
o_md_ope
n
mm
.
commit
|
commitdiff
|
tree
2010-03-11
R
o
ssen Apostol
o
v
Reworked
t
he i
n
tegr
a
tor and
t
hermostat optio
n
s
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apost
o
lov
Fixed the wrong output ti
m
e fra
m
es
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apostolov
do_md_opennmm
.
h (aka patched) now works
but the time
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apost
o
lov
I
ni
t
ial
por
t
ing, do_md_openmm_
n
o
patch
.
h
is used
.
commit
|
commitdiff
|
tree
2009-10-02
Ros
s
en
A
p
osto
l
ov
Users are now re
f
ered t
o
the new web
s
ite in case of
.
.
.
commit
|
commitdiff
|
tree
2009-08-17
R
ossen Apostolov
Fixed incorrect scaling of forces in recipro
c
al
spa
c
e
.
.
.
commit
|
commitdiff
|
tree