Re: creating an output file from a dcd file

From: Rabab Toubar (
Date: Tue Mar 02 2010 - 14:51:20 CST

I didn't mean the output file as in the dcd file, but I meant the log file where you have your TS, Energies, Electrostatics..etc recorded

Rabab Toubar

--- On Tue, 3/2/10, Nicholas M Glykos <> wrote:

From: Nicholas M Glykos <>
Subject: Re: namd-l: creating an output file from a dcd file
To: "Rabab Toubar" <>
Cc: "namd-l" <>
Date: Tuesday, March 2, 2010, 1:30 PM

> 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?

The DCD files _are_ the output. If you want to produce, say, PDB files
corresponding to specific DCD frames, download-install VMD and have a look
at its documentation.

          Dr Nicholas M. Glykos, Department of Molecular Biology
     and Genetics, Democritus University of Thrace, University Campus,
  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
    Ext.77620, Tel (lab) +302551030615,

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