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
Second GROMACS 2021 beta release
2020-10-09
Christian Blau
Remove dysf
u
nctional QMMM interfa
c
e
pt
5
commit
|
commitdiff
|
tree
2020-10-02
Christian
B
l
au
Fix FEP lambda interpo
l
a
tion for reruns
commit
|
commitdiff
|
tree
2020-10-01
Chr
i
s
tian
Blau
Fix the
F
E
P
l
ambd
a
in
t
e
r
p
o
la
t
i
on
commit
|
commitdiff
|
tree
2020-09-22
Christian Blau
Neld
e
r-Mea
d
downhill sim
p
lex
optimisation
commit
|
commitdiff
|
tree
2020-09-15
Chri
s
tian
B
l
au
All coo
r
dina
t
e
s
in the
density-guided-sim
u
lation grou
p
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
Christia
n
Blau
Simplify
a
nd fix how lambda values are set
commit
|
commitdiff
|
tree
2020-09-08
Christian Blau
Allow de
n
s
i
ty-guided simulations t
o
t
ransla
t
e structure
commit
|
commitdiff
|
tree
2020-09-07
Christian Blau
Imple
m
ent affine coordin
a
te transformation
commit
|
commitdiff
|
tree
2020-09-04
C
hristian B
l
au
String to array conversion functions
commit
|
commitdiff
|
tree
2020-08-10
Christi
a
n Blau
Move density fitt
i
n
g
checkpointing into s
t
ate
commit
|
commitdiff
|
tree
2020-08-07
C
hristian Blau
Fixed the m
i
s-fix
commit
|
commitdiff
|
tree
2020-07-07
Chri
s
tian
B
l
au
Move finalising routine into mtop
commit
|
commitdiff
|
tree
2020-07-01
Chri
s
tian Blau
Updated th
e
cha
n
g
e
m
an
a
gement docume
n
tation
commit
|
commitdiff
|
tree
2020-04-17
Chris
t
ian Blau
proposed fix for redmine bug #
3
4
03
commit
|
commitdiff
|
tree