VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Sun Aug 08 2004 - 13:36:35 CDT

On Fri, 6 Aug 2004, Travis DePuy wrote:

TD> Hello all!
TD>
TD> I have a homemade structure and trajectory file,
TD> and I want to read the trajectory file into
TD> vmd. I have found a few programs and scripts
TD> that _read_ dcd files, but no stand alone
TD> programs that _write_ dcd files.

hi,

basically, if you have a code, that can _read_
dcd, you can also create something that writes
for that reader.

alternatively please have a look at the attached
two files (taken from the moldy MD program).
perhaps they contain what you need.

depending on the size of your system, also
writing a pdb or even an .xyz file may be
an alternative.

regards,
        axel.

TD>
TD> The other trajectory formats seem to come
TD> from other md programs.
TD>
TD> Any ideas? Or am I going to have to look
TD> into writing a dcd writer? *blech*
TD> If it is the latter, where can I find a good
TD> example(s) of the format?
TD>
TD>
TD> Thanks for all your help and good luck to all.
TD>
TD> Travis DePuy
TD>
TD> 

-- 
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Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer_at_rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
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