Pair Interaction options

From: Uma Mahankali (
Date: Thu Nov 10 2005 - 10:20:24 CST

Dear all,

I am trying to analyze trajectories obtained using different timesteps
to calculate the pair interaction energies. As such, I was wondering
if there is a way I can do this in one analysis file itself by
adjusting the timestep everytime I read a new dcd file or is it better
to just run separate analyses.


Uma Mahankali,
Graduate Student,
Department of Chemistry,
University of Cincinnati,

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