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MD Trajectory of the NH2-POA polymer in CH2Cl2

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资源简介:
As described in our corresponding paper (DOI: 10.1016/j.chempr.2020.05.011), this MD trajectory shows that the NH2-POA polymer folds in a nonpolar solvent like dichloromethane. The folding is primarily driven by hydrogen bonding. The trajectory is the last 400 ns of an 800-ns production run. For the sake of size constraints, it has been sliced to every fourth frame. It is in the Desmond file format (compatible with VMD).
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2020-05-20
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