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OpenMM build not dependent on fftw anymore
2010-03-11
Szilard
Pal
l
OpenM
M
buil
d
n
o
t depen
d
ent on fftw anymore
commit
|
commitdiff
|
tree
2010-03-11
Szila
r
d Pall
fixed mdrun verb
o
sit
y
with OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
a
ll
f
ixed a missing comma and a typo in openmm_w
r
apper
commit
|
commitdiff
|
tree
2010-03-11
Rosse
n
Apostolov
Enalb
e
d
-
maxh
o
p
tion for
us
a
ge with OpenMM binaries
commit
|
commitdiff
|
tree
2010-03-11
Rossen
A
postol
o
v
Clea
n
ed up do_md_openmm
.
commit
|
commitdiff
|
tree
2010-03-11
Sz
i
l
a
r
d
Pall
Delete src/kernel/do_md_openmm_nopatch
.
h, it's
no
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pal
l
M
i
n
o
r
c
leanup, some rearran
g
aments, and c
o
mmenti
n
g
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pa
l
l
Revert
e
d stu
p
id change
i
n CMale
L
is
t
s
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Renam
e
d
m
d
_openmm into o
p
enmm_w
r
apper, and do_m
d
_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apostolov
Reworked the
i
nteg
r
ator
a
nd
t
h
e
rmostat o
p
tions
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen A
p
ostolov
Fix
e
d
the wrong output time frames
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apostolov
do_md
_
opennmm
.
h
(aka patched) now works b
u
t
the ti
m
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Aposto
l
o
v
Initial porting, do_
m
d_openmm_no
p
atch
.
h i
s
used
.
commit
|
commitdiff
|
tree
2009-10-02
Rossen Apostol
o
v
Users are
n
ow
r
efered to the new websi
t
e in case o
f
.
.
.
commit
|
commitdiff
|
tree
2009-08-17
Rossen Aposto
l
ov
F
ixed incorrect scaling of fo
r
ce
s
in reciproca
l
space
.
.
.
commit
|
commitdiff
|
tree