Re: Pair Interaction options

From: Peter Freddolino (
Date: Thu Nov 10 2005 - 10:27:14 CST

Dear Uma,
this can be done using the coorfile open and coorfile read commands; you
can see a good example of this at in the last
config file. There will also be a GUI for setting up such analysis runs
included in VMD 1.8.4.


Uma Mahankali wrote:

>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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