repo.or.cz
/
gromacs.git
/
tree
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
history
|
HEAD
|
snapshot (
tar.gz
zip
)
Moved one regressiontest to core gromacs.
[gromacs.git]
/
src
/
testutils
/
simulationdatabase
/
tree
ed9fcf01662c9a95b0c4d8a1f9380df016e68ec1
drwxr-xr-x
..
-rw-r--r--
236
1quantum.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
251
2quantum.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
601
4water.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
1461
4water.top
blob
|
blame
|
history
|
raw
-rw-r--r--
953742
OctaneSandwich.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
139414
OctaneSandwich.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
16860
OctaneSandwich.top
blob
|
blame
|
history
|
raw
-rw-r--r--
1651
ala.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
756
ala.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
7638
ala.top
blob
|
blame
|
history
|
raw
-rw-r--r--
8210
alanine_vsite.itp
blob
|
blame
|
history
|
raw
-rw-r--r--
63816
alanine_vsite_solvated.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
4688
alanine_vsite_solvated.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
592
alanine_vsite_solvated.top
blob
|
blame
|
history
|
raw
-rw-r--r--
2129
alanine_vsite_vacuo.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
157
alanine_vsite_vacuo.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
265
alanine_vsite_vacuo.top
blob
|
blame
|
history
|
raw
-rw-r--r--
281
allquantum.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
343
angles1.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
31
angles1.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
1898
angles1.top
blob
|
blame
|
history
|
raw
-rw-r--r--
893
argon12.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
71
argon12.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
710
argon12.top
blob
|
blame
|
history
|
raw
-rw-r--r--
402451
argon5832.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
88675
argon5832.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
708
argon5832.top
blob
|
blame
|
history
|
raw
-rw-r--r--
231
butane1.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
31
butane1.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
11589
butane_a0.xvg
blob
|
blame
|
history
|
raw
-rw-r--r--
19149
butane_b0.xvg
blob
|
blame
|
history
|
raw
-rw-r--r--
23180
butane_d0.xvg
blob
|
blame
|
history
|
raw
-rw-r--r--
495
glycine_no_constraints_vacuo.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
61
glycine_no_constraints_vacuo.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
186
glycine_no_constraints_vacuo.top
blob
|
blame
|
history
|
raw
-rw-r--r--
495
glycine_vacuo.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
2784
glycine_vacuo.itp
blob
|
blame
|
history
|
raw
-rw-r--r--
61
glycine_vacuo.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
186
glycine_vacuo.top
blob
|
blame
|
history
|
raw
-rw-r--r--
12494
lysozyme.pdb
blob
|
blame
|
history
|
raw
-rw-r--r--
44484
lysozyme.top
blob
|
blame
|
history
|
raw
-rw-r--r--
2619
nonanol_vacuo.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
194
nonanol_vacuo.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
15576
nonanol_vacuo.top
blob
|
blame
|
history
|
raw
-rw-r--r--
435
one-tip5p.g96
blob
|
blame
|
history
|
raw
-rw-r--r--
36
one-tip5p.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
1973
one-tip5p.top
blob
|
blame
|
history
|
raw
-rw-r--r--
513
scaled-water.g96
blob
|
blame
|
history
|
raw
-rw-r--r--
119
scaled-water.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
1026
scaled-water.top
blob
|
blame
|
history
|
raw
-rw-r--r--
449
spc-and-methanol.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
91
spc-and-methanol.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
208
spc-and-methanol.top
blob
|
blame
|
history
|
raw
-rw-r--r--
512
spc-dimer.g96
blob
|
blame
|
history
|
raw
-rw-r--r--
41
spc-dimer.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
160
spc-dimer.top
blob
|
blame
|
history
|
raw
-rw-r--r--
449
spc2.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
117
spc2.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
782
spc2.top
blob
|
blame
|
history
|
raw
-rw-r--r--
264
spc2.trr
blob
|
blame
|
history
|
raw
-rw-r--r--
44769
spc216.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
3295
spc216.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
177
spc216.top
blob
|
blame
|
history
|
raw
-rw-r--r--
45112
spc216_with_methane.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
933
spc216_with_methane.top
blob
|
blame
|
history
|
raw
-rw-r--r--
355
spc2_and_vacuum.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
47
spc5.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
36056
spc5.pdb
blob
|
blame
|
history
|
raw
-rw-r--r--
105
spc5.top
blob
|
blame
|
history
|
raw
-rw-r--r--
30
spc5_3.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
786
sw-dimer.g96
blob
|
blame
|
history
|
raw
-rw-r--r--
61
sw-dimer.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
3941
sw-dimer.top
blob
|
blame
|
history
|
raw
-rw-r--r--
1109
tip3p5.gro
blob
|
blame
|
history
|
raw
-rw-r--r--
87
tip3p5.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
174
tip3p5.top
blob
|
blame
|
history
|
raw
-rw-r--r--
18021
villin.g96
blob
|
blame
|
history
|
raw
-rw-r--r--
1291
villin.ndx
blob
|
blame
|
history
|
raw
-rw-r--r--
75288
villin.top
blob
|
blame
|
history
|
raw