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Prmtop but no inpcrd #2

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mpharrigan opened this issue Nov 22, 2016 · 2 comments
Open

Prmtop but no inpcrd #2

mpharrigan opened this issue Nov 22, 2016 · 2 comments

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@mpharrigan
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I don't know how common this is, but I prepared my system in amber and have an inpcrd, but I have equilibrated trajectories from whence I want to simulate (by taking e.g. the last frame of the equilibration trajectory)
@peastman
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What format are they in?

@mpharrigan
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Mine are in xtc. I can imagine an option to load either the first or last frame from anything mdtraj can load

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@peastman @mpharrigan