cmelab / cmelab/advanced-sampling-polymers
Possible issues with volume when switching from NPT to NVT
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Description
Switching from NVT to NPT run methods seems to work fine, the box starts to fluctuate during the NPT run. However, when switching back to NVT from NPT, it looks like the box abruptly changes from those typical of the NPT run back to what it was during the first NVT run.
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