Re: namd1 - abf analysis

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Thu Sep 11 2008 - 11:11:10 CDT

Hi Anna,
Have a look there:
http://www.ks.uiuc.edu/Research/namd/tutorial/abf/
Cheers,
Jerome

On Thu, Sep 11, 2008 at 9:19 AM, <blicebauma_at_duq.edu> wrote:
> Hey Everybody,
>
> I am somewhat new to using NAMD and VMD, and I am trying to use abf to
> find the potential of mean force for a small alpha-helical peptide. From
> the output file, how do I analyze the output data (A(xi), xi, sample,
> etc.), and how many runs would be necessary to analyze the data properly?
> For the time being, I am working with a 19-residue peptide called walp19.
> Thanks!
>
> Anna
>
>

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