Pure POPC bilayer MD simulation using Berger force field, T=303K
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Protonated trajectory and .gro from a Berger simulation of 256 POPCs hydrated with 10342 waters simulated with Gpu-version of Gromacs2020.1. The force field and inputs were downloaded from https://zenodo.org/record/1402417/. Prod.tpr was used to run the simulation, protonated.tpr is a dummy .tpr used for the analysis of the protonated trajectory. Simulation used Nose-Hoover thermostat and Parrinello-Rahman barostat.
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Zenodo创建时间：
2021-02-12
