From: Rabab Toubar (rtoubar_at_yahoo.com)
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
Thanks
Rabab Toubar
--- On Tue, 3/2/10, Nicholas M Glykos <glykos_at_mbg.duth.gr> wrote:
From: Nicholas M Glykos <glykos_at_mbg.duth.gr>
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, 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, http://utopia.duth.gr/~glykos/
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