Inputs for: On Local Structure Equilibration of Ca2+ in Solution by Ab Initio Molecular Dynamics
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资源简介：
The archive inputs.zip in the Download section contains the data to reproduce the molecular dynamics trajectories of Ca2+ + 62H2O system with BLYP functional and Grimme-D2 correction: - inputs for the code cp.x - starting structure and velocities
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Formater创建时间：
2024-03-01
