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OpenMM: "md" option is now accepted.
2010-03-27
Ro
s
sen Apos
t
olov
OpenM
M
: "md
"
option is n
o
w accep
t
ed
.
commit
|
commitdiff
|
tree
2010-03-24
Ro
s
se
n
Apostolov
Allow
i
ng also CUDA versions later
t
han
2
.
3
.
commit
|
commitdiff
|
tree
2010-03-24
Ros
s
en Apostolov
Signal handling i
s
now ena
b
l
ed for the op
e
nmm
pla
t
form
.
commit
|
commitdiff
|
tree
2010-03-17
Rossen Apostolov
ope
n
mm: some cl
e
anup
in m
d
_openm
m
.
c
and mdru
n
.
c
commit
|
commitdiff
|
tree
2010-03-12
R
ossen Aposto
l
ov
Enable
d
c
h
eckp
o
ints in Open
M
M
.
commit
|
commitdiff
|
tree
2010-03-12
Rossen Apostolov
Automatically disable t
h
reads for Open
M
M bu
i
lds
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apos
t
olov
Various fixes
.
commit
|
commitdiff
|
tree
2010-03-11
R
o
ssen Apostolov
Small f
i
x
es in mdrun
d
esc
.
; enable pe
r
iodic
m
ol
e
cules
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apostolov
En
a
lb
e
d -maxh option for us
a
ge wi
t
h Ope
n
MM
b
inaries
commit
|
commitdiff
|
tree
2010-03-11
Rossen A
p
ostolov
C
l
eaned u
p
do_md_open
m
m
.
commit
|
commitdiff
|
tree
2010-03-11
R
o
ssen Apostol
o
v
Re
w
orke
d
the in
t
egrator and thermostat options
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Ap
o
stolo
v
Fixed
the wrong output time frames
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apostol
o
v
d
o_m
d
_opennmm
.
h (
a
ka patched) now wo
r
k
s but the time
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Ro
s
sen Apostolov
Initi
a
l
p
orting, do_
m
d_ope
n
mm_nop
a
t
c
h
.
h i
s
used
.
commit
|
commitdiff
|
tree
2009-10-02
Ro
s
sen Ap
o
s
t
olov
Users are
now ref
e
red t
o
the n
e
w websi
t
e
in case of
.
.
.
commit
|
commitdiff
|
tree
2009-08-17
Rossen Apostolov
Fixed
incorrect scali
n
g of for
c
es in rec
i
procal spac
e
.
.
.
commit
|
commitdiff
|
tree