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smog-server
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OpenSMOG
OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.
MIT License
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buffer trajectories
#44
Whitford
opened
3 years ago
3
duplicated warning
#43
Whitford
closed
3 years ago
0
add minimization
#42
Whitford
closed
2 years ago
1
KeyError: 'Precision' error when running tutorial
#41
jknoel
closed
3 years ago
4
wrong version on webpage
#40
Whitford
closed
3 years ago
1
Weird temperature
#39
Whitford
closed
2 years ago
9
move splash message
#38
Whitford
closed
3 years ago
4
more cryptic messages
#37
Whitford
closed
2 years ago
2
another cryptic error
#36
Whitford
closed
2 years ago
1
cryptic error message
#35
Whitford
closed
2 years ago
2
readthedocs history
#34
Whitford
closed
3 years ago
5
Add feature texts
#33
junioreif
closed
3 years ago
0
force usage
#32
Whitford
closed
3 years ago
1
more informative schema check
#31
Whitford
closed
3 years ago
1
Update OpenSMOG.py
#30
contessoto
closed
3 years ago
0
add warnings message and create logfile
#29
junioreif
closed
3 years ago
0
Docs
#28
contessoto
closed
3 years ago
0
Docs
#27
contessoto
closed
3 years ago
0
Docs
#26
contessoto
closed
3 years ago
0
Issue while installing smog2.4pre1 with conda
#25
Sandra-Byju
closed
3 years ago
1
Docs
#24
contessoto
closed
3 years ago
0
Update SMOG2_usage.rst
#23
contessoto
closed
3 years ago
0
Fix citing.rst
#22
contessoto
closed
3 years ago
0
Updating docs
#21
contessoto
closed
3 years ago
0
Add Smog2 tutorial
#20
contessoto
closed
3 years ago
0
main to docs
#19
contessoto
closed
3 years ago
0
Docs
#18
contessoto
closed
3 years ago
0
conda PDL install fails
#17
jknoel
closed
3 years ago
4
tutorial addition
#16
Whitford
closed
3 years ago
4
Create a output.log file
#15
contessoto
closed
3 years ago
1
set up an openSMOG.test routine
#14
contessoto
closed
3 years ago
1
add version to conda/pip install
#13
smog-server
closed
3 years ago
1
outdated tutorial
#12
smog-server
closed
3 years ago
1
Docs
#11
contessoto
closed
3 years ago
0
Adding OpenSMOG pipeline image
#10
contessoto
closed
3 years ago
0
Update conf.py
#9
contessoto
closed
3 years ago
0
Adding Docs - First Release
#8
contessoto
closed
3 years ago
0
Feature reader
#7
junioreif
closed
3 years ago
0
Feature reader
#6
junioreif
closed
3 years ago
0
Feature reader
#5
junioreif
closed
3 years ago
0
Vini
#4
contessoto
closed
3 years ago
0
Docs
#3
contessoto
closed
3 years ago
0
Docs
#2
contessoto
closed
3 years ago
0
Adding the base of the documentation
#1
contessoto
closed
3 years ago
0
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