ajkluber model_builder issues

ajkluber / 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