Re: creating an output file from a dcd file

From: Rabab Toubar (rtoubar_at_yahoo.com)
Date: Thu Mar 04 2010 - 10:40:12 CST

So if I lost the log file, and I need to get the Energies, how should I regenerate this data if not from the dcd?
Thanks

Rabab Toubar

--- On Tue, 3/2/10, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

From: Axel Kohlmeyer <akohlmey_at_gmail.com>
Subject: Re: namd-l: creating an output file from a dcd file
To: "Rabab Toubar" <rtoubar_at_yahoo.com>
Cc: "namd-l" <namd-l_at_ks.uiuc.edu>
Date: Tuesday, March 2, 2010, 12:27 PM

what kind of output? a regular NAMD output? that would not be
possible. the .dcd file effectively only contains coordinates.

axel.

On Tue, Mar 2, 2010 at 11:34 AM, Rabab Toubar <rtoubar_at_yahoo.com> wrote:
>
> Hi,
>
> This is probably an easy question, but I couldn't find an answer to it yet. I want to create an output file from the dcd file...any suggestions?
> Thanks
>
> Rabab Toubar
>

--
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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