Macrog Pops Simulations (Versions 1 And 2) 298 K With Corrected Po Not Op Tails
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MacRog POPS simulations (298 K, starting structure from the CHARMM-GUI) performed with 1.0 nm cut-offs, PME and a dispersion correction. Two simulations were performed with differently assigned random starting velocities. Note that unlike the original MacRog simulations, these have the correct PO and not OP tails.
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Zenodo创建时间：
2018-06-05
