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The P3HT-P3HT link has a dihedral with 2 multiplicities, i.e., `links.ff` contains the following two lines (from https://github.com/ricalessandri/polyply_1.0/blob/2514a46e38028130fa04293c812ca9a56ecf0…
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In diesem Modell werden alle Slicing Paramter gespeichert
Das Modell ist aus der folgenden Parameterauflistung abzuleiten.
```
Transform options:
--align-xy X,Y Align the model to the …
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Dear editors,
As part of our work for UN environment on SDG 14 we would like to add the following terms:
**Term: plastic film**
Definition: A piece of plastic which is flat and flexible
is_a: …
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Very soon the big NCrystal v2.0 release will be out, with new capabilities for inelastic physics. It will contain many materials with phonon-dos or scattering kernels, but due to time limitations ther…
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Over the past weeks i've been making some polymer production chains that would be useful for UV+. Some of them are already mentioned in their own issues, but might not be updated to the current versio…
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**Biosensor Recognition Elements
James P. Chambers, Bernard P. Arulanandam, Lean**
- Selective overview of molecular recognition elements, including receptors, enzymes, antibodies, nucleic acids…
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### **Bhalla et al. (2016). Introduction to biosensors. Essays in Biochemistry, 60(1), 1–8. Juliette 21/03/2021**
A good review to have the basis about biosensors i.e. what it is, how it works, th…
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I tried running the `ecs_opengl.nim` example directly, but got the following error:
```
/home/smt/Code/nim/polymorph_tests/test1.nim(173, 29) Error: type mismatch: got
but expected one of:
tem…
0xSMT updated
3 years ago
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The following issue may be encountered by people trying to implement a block starting from an itp generated by programs/servers (e.g., [LigParGen](http://zarbi.chem.yale.edu/ligpargen/)) that generate…
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API first draft:
```python
class BuildingBlockMapped:
def constructed_mol_torsion(building_block_torsion):
'returns the corresponding torsion in the constructed molecule'
class Constructe…