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Renamed md_openmm into openmm_wrapper, and do_md_openmm into md_openmm.
2010-03-11
Szila
r
d Pal
l
Renamed md_openmm i
n
to openmm_
w
rappe
r
, and d
o
_
md_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Ross
e
n Apostolov
R
e
work
e
d
the
integrator and the
r
mostat opt
i
ons
.
commit
|
commitdiff
|
tree
2010-03-11
Ross
e
n Apostolov
Fixed the wron
g
outpu
t
t
i
me fr
a
m
e
s
commit
|
commitdiff
|
tree
2010-03-11
R
ossen
Ap
o
stolov
d
o_md_opennmm
.
h
(aka pa
t
ched) now work
s
but
t
h
e
tim
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Rossen Apostolo
v
Initial p
o
rting, d
o
_md_
o
penmm_nopatch
.
h is used
.
commit
|
commitdiff
|
tree
2009-10-02
Ro
s
sen Apostolov
Us
e
rs are now
r
efered to the new web
s
ite in cas
e
of
.
.
.
commit
|
commitdiff
|
tree
2009-08-17
Rossen Apostolov
Fixed incorrect scaling of forces in reci
p
rocal
s
p
ace
.
.
.
commit
|
commitdiff
|
tree