VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Jun 03 2013 - 03:16:35 CDT

On Mon, Jun 3, 2013 at 7:33 AM, Mingchao Wang <wmc8611_at_gmail.com> wrote:
> Hi Axel,
>
> Recently, I am using signalproc plugin to calculate velocity autocorrelation
> function. However, I still have some problems that need your help.

> 1. For the parameter <max. freq>, the unit of this parameter is that of
> frequency (s^-1) or wavenumber (cm^-1). Calculation of VAF needs the power
> spectrum with respect to frequency.

http://www.ks.uiuc.edu/Research/vmd/plugins/signalproc/

>
> 2. Is that possible to read LAMMPS output file to import data?

http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/

please help yourself.

thanks,
    axel.

> Kind regards,
>
>
> M.C. 

--
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.