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Q6
Q6 Repository -- EVB, FEP and LIE simulator.
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Question about `number of paths` parameter in Q's forcefield.prm definition
#20
David-Araripe
opened
3 months ago
0
strange behavior of LRF
#19
JordiVillaFreixa
opened
8 months ago
11
Dead URL in the README: http://xray.bmc.uu.se/~aqwww/q/
#18
yurivict
closed
2 years ago
0
Fix to angle and torsion coupling bug
#17
FlorianvdEnt
closed
2 years ago
0
Make qbond dependent arrays have correct size
#16
acmnpv
closed
2 years ago
1
Segfault crash on Q6 in mutiring systems
#15
danielaschipper
closed
2 years ago
4
Maybe a change in the default Coulomb constant could be good.
#14
esguerra
opened
6 years ago
2
New release?
#13
acmnpv
opened
6 years ago
4
Boundary solvation issue with Qprep6?
#12
Pyshou
closed
6 years ago
9
Fix for solvent dielectric and density
#11
acmnpv
closed
2 years ago
1
Qdyn6 stuck when using polarisation restraints
#10
Pyshou
closed
2 years ago
11
Fix size of coordinate array in avetr
#9
acmnpv
closed
6 years ago
3
Qprep6 fortran error when averaging dcds to pdb
#8
dblahanelson
closed
6 years ago
4
Qdyn6 doesn't fail on NaN
#7
mpurg
opened
6 years ago
1
qdyn6 gives incorrect error message
#6
dblahanelson
closed
6 years ago
2
qprep charge groups ambivalent indexing shows no error
#5
dblahanelson
opened
6 years ago
2
Q6 needs intel/impi instructions
#4
dblahanelson
opened
6 years ago
0
Update makefile
#3
esguerra
closed
6 years ago
1
Mpi crushed in Q6 intel- Rackham cluster
#2
klaudia-dais
opened
6 years ago
20
Hotfix for Qfep analysis tool
#1
acmnpv
closed
6 years ago
4