PME in PairInteraction Calculations

From: Matthew Guberman-Pfeffer (
Date: Tue Sep 01 2020 - 00:01:51 CDT

Dear NAMD Listserve,

When running a PairInteraction calculation over a trajectory, what is the
correct way to specify the periodic boundaries? If I specify the cell
vectors in the conf file, do the vectors get updated to reflect the cell
fluctuations during the trajectory?

Best regards,

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