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Initial structure (model.xyz as one of inputs of GPUMD) is missing in trajectory file, but it is beneficial if it was output to dump.xyz as first frame, as it usually serves as a primary reference of trajectory for MD users.
The text was updated successfully, but these errors were encountered:
Initial structure (model.xyz as one of inputs of GPUMD) is missing in trajectory file, but it is beneficial if it was output to dump.xyz as first frame, as it usually serves as a primary reference of trajectory for MD users.
The text was updated successfully, but these errors were encountered: