repo.or.cz
/
gromacs
/
qmmm-gamess-us.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
OpenMM build not dependent on fftw anymore
2010-03-11
Szilard Pall
Open
M
M build
n
ot d
e
pen
d
ent o
n
f
f
tw anymo
r
e
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fixed mdrun verbosity wit
h
OpenM
M
b
uil
d
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
f
ix
e
d a m
i
ssing comma a
n
d a t
y
po in ope
n
mm_wrapper
commit
|
commitdiff
|
tree
2010-03-11
R
o
ssen Apos
t
olov
Enalbed
-
m
axh op
t
ion for usag
e
wit
h
OpenMM binari
e
s
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apost
o
l
o
v
Cleaned up do_md
_
o
p
e
nmm
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pa
l
l
D
el
e
t
e src
/
kernel/do_md_open
m
m
_n
o
patch
.
h, it's not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
a
ll
Minor clea
n
up
,
some rearrang
a
ments, an
d
commenting
.
commit
|
commitdiff
|
tree
2010-03-11
S
z
ilard Pall
Reve
r
ted stupid
c
hange in CMaleLists
.
tx
t
commit
|
commitdiff
|
tree
2010-03-11
Sz
i
la
r
d
Pall
Renam
e
d md_openmm into op
e
nm
m
_wrap
p
er, and do_md_op
e
nmm
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apos
t
o
l
ov
R
ew
o
r
k
ed
t
he inte
g
r
ator and ther
m
ostat options
.
commit
|
commitdiff
|
tree
2010-03-11
Rosse
n
Apostolo
v
Fi
x
e
d
the wro
n
g output time fram
e
s
commit
|
commitdiff
|
tree
2010-03-11
Ross
e
n Apost
o
lov
d
o
_md_openn
m
m
.
h (aka patche
d
)
now works b
u
t the
t
ime
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Ross
e
n Apostolov
Initial porting, do_
m
d_open
m
m
_n
o
patc
h
.
h is used
.
commit
|
commitdiff
|
tree
2009-10-02
Rossen Apostolov
Users are now refered to the new websi
t
e in
c
ase of
.
.
.
commit
|
commitdiff
|
tree
2009-08-17
Rossen Apostolov
Fi
x
ed incorrect scalin
g
of
forces
in
r
eciprocal sp
a
ce
.
.
.
commit
|
commitdiff
|
tree