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Also need to apply NPT Parinello (flexible box) dynamics.
Probably requires addition of ij Force matrix (this is needed to calculate pressure in NVT anyways)
The text was updated successfully, but these errors were encountered:
Also need to apply NPT Parinello (flexible box) dynamics.
Probably requires addition of ij Force matrix (this is needed to calculate pressure in NVT anyways)
The text was updated successfully, but these errors were encountered: