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cabb99
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open3spn2
An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
MIT License
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Adds Twisting bias example
#25
cabb99
closed
6 months ago
0
add q values calcs and replace ffAWSEM with openawsem (Sourcery refactored)
#24
sourcery-ai[bot]
closed
11 months ago
0
add q values calcs and replace ffAWSEM with openawsem
#23
stevenluo22
closed
11 months ago
0
Updates setup.py
#22
cabb99
closed
1 year ago
0
Updates tags
#21
cabb99
closed
1 year ago
0
Fix complementary strand geometry (Sourcery refactored)
#20
sourcery-ai[bot]
closed
1 month ago
0
Fix complementary strand geometry
#19
cabb99
closed
1 year ago
0
Updates to 0.3.2 (Sourcery refactored)
#18
sourcery-ai[bot]
closed
1 year ago
0
Updates to 0.3.2
#17
cabb99
closed
1 year ago
0
Adds analysis script
#16
cabb99
closed
1 year ago
0
Calculate energy in trajectory (Sourcery refactored)
#15
sourcery-ai[bot]
closed
1 year ago
0
Calculate energy in trajectory
#14
MengyanWang
closed
1 year ago
0
Functional form of dihedral potential
#13
MasatakaYm
closed
1 year ago
2
Segmentation fault after simulation of 1lmb example
#12
yihengwuKP
opened
2 years ago
3
UnicodeDecodeError when trying to run example
#11
rmons01
closed
2 years ago
7
Protein/DNA complex example (1lmb.pdb) would disassociate and protein would fold by itself after ~1 ns
#10
yihengwuKP
closed
3 years ago
2
Too mamy atoms in template DNA
#9
cabb99
opened
3 years ago
0
Sourcery refactored master branch
#8
sourcery-ai[bot]
closed
3 years ago
1
Sourcery refactored master branch
#7
sourcery-ai[bot]
closed
3 years ago
2
Small changes related to simtk module(s) import
#6
ricalessandri
closed
3 years ago
0
Topology issue when loading circular DNA (plasmids)
#5
Heezch
opened
4 years ago
0
Energy and position become infinitive large
#4
CryoSky
closed
4 years ago
5
Occupancy read error when there is blank
#3
CryoSky
closed
4 years ago
2
Add dependencies section to installation
#2
jmoller93
closed
4 years ago
2
Code doesn't work on CUDA/OpenCL
#1
cabb99
closed
5 years ago
1