repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
changed default epsilon-rf value to 0
2012-02-20
Berk Hess
changed default e
p
silon
-
r
f
value to 0
commit
|
commitdiff
|
tree
2012-02-10
Berk Hess
fix
e
d gmxcheck segv
w
ith
tp
r
files withou
t
A
dRes
S
commit
|
commitdiff
|
tree
2012-02-02
Berk
Hess
Improved th
e
accuracy of the sd1 integra
t
or
commit
|
commitdiff
|
tree
2011-11-27
Ber
k
Hess
fix
e
d pull constrain
t
periodicity
co
n
sistency
c
heck
.
.
.
commit
|
commitdiff
|
tree
2011-11-15
Berk
Hess
f
i
x
ed dd load print frequency with nsteps=-1, fixe
s
.
.
.
commit
|
commitdiff
|
tree
2011-10-13
Berk Hes
s
fixed pull constraining doing nothing, fixes #825
commit
|
commitdiff
|
tree
2011-10-06
Berk He
s
s
fixed
s
e
g
v
in parallel
replica ex
c
han
g
e
commit
|
commitdiff
|
tree
2011-09-19
B
e
rk He
s
s
added gr
o
mpp check
f
o
r
pos
r
es+pc
o
upl+re
f
coor
d
_
s
c
al
i
ng=no
commit
|
commitdiff
|
tree
2011-09-15
B
e
r
k Hess
mdrun -multi -cp
i
now chec
k
s if simul
a
tions parts are
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Ber
k
Hess
fixed gr
o
m
p
p
issu
e
w
i
th de
c
oupling and virtual sites
commit
|
commitdiff
|
tree
2011-09-05
Berk Hess
mad
e
a
l
location
for
LINCS wit
h
par
t
icle decomposition
.
.
.
commit
|
commitdiff
|
tree
2011-08-29
Berk Hess
fixe
d
i
n
correct pV term in the
e
nergy file
commit
|
commitdiff
|
tree
2011-08-22
Berk Hess
fixe
d
operation on closed f
i
l
e
structure in gmx_
r
msdist
.
.
.
commit
|
commitdiff
|
tree
2011-08-22
B
e
r
k
Hess
f
i
xed
p
ossible
i
nfini
t
e
loop when r
e
adin
g
atom
types
.
.
.
commit
|
commitdiff
|
tree
2011-08-15
B
e
rk H
e
ss
fixed in
c
o
r
rect p
o
inter assignment in g_protonate
commit
|
commitdiff
|
tree
2011-08-12
Berk Hess
implemen
t
e
d
f
ull exclu
s
i
o
n support for
t
he charg
e
-group
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Be
r
k Hes
s
removed npmenodes mismatch
w
arn
i
ng in r
e
ad_checkpoint
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Berk Hess
re
m
oved fatal_error for
p
rime number of node
s
when
.
.
.
commit
|
commitdiff
|
tree