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ajkluber
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model_builder
Represents coarse-grain models for easy simulation and parameter fitting.
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model_builder results depend on AWSEM version
#21
TensorDuck
opened
8 years ago
0
[pairwise] removed custom pair kwargs
#20
ajkluber
closed
8 years ago
0
custom pair potential
#19
ajkluber
closed
8 years ago
0
Symbolic algebra for interaction potentials
#18
ajkluber
opened
8 years ago
0
Augment model with python script
#17
ajkluber
opened
8 years ago
2
All-atom SBM Hamiltonian
#16
ajkluber
opened
8 years ago
3
debye huckel
#15
TensorDuck
opened
8 years ago
4
Visible bonds between chains in mutli-chain complexes
#14
gsc4
opened
8 years ago
0
[output] default for awsem is no secondary structure
#13
ajkluber
closed
8 years ago
0
Devel
#12
ajkluber
closed
8 years ago
0
Devel
#11
ajkluber
closed
8 years ago
0
Reindex atoms in mappings?
#10
ajkluber
closed
8 years ago
0
Angle energy calculation bug
#9
ajkluber
closed
8 years ago
3
__init__ files should only contain comments and import statements?
#8
TensorDuck
closed
8 years ago
2
Try statement for inputs.py
#7
ajkluber
closed
8 years ago
2
Formatting for Multiple Chains
#6
TensorDuck
closed
8 years ago
1
mdtraj_refractor: Format for data inputs and outputs
#5
TensorDuck
closed
8 years ago
7
CaCb Model can give Excluded Volume > Interaction Distance
#4
TensorDuck
opened
8 years ago
3
Use mdtraj for structure file parsing
#3
ajkluber
closed
8 years ago
0
Backends for different versions of gromacs
#2
ajkluber
closed
8 years ago
0
Combination rule
#1
ajkluber
closed
8 years ago
6