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multiple runs with fixed potentials #1

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cstein opened this issue Jun 14, 2018 · 0 comments
Open

multiple runs with fixed potentials #1

cstein opened this issue Jun 14, 2018 · 0 comments
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enhancement

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@cstein
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cstein commented Jun 14, 2018

If one attemps to run multiple calculations with a fixed potential the same work directory is used (the base name of the input .pdb file). This is a problem because old files are not removed so a plan about what to do should be thought out.
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