[gmx-users] gromacs to dcd/mmtk
Marc A Ceruso
mceruso at physbio.mssm.edu
Mon May 19 17:58:01 CEST 2003
Hi-
vmd should be able to do the xtc to DCD conversion for you.
I just wrote a very crude DCD_2_XTC fortran conversion, I'll post it as soon
as I clean it up a bit
It should be trivial to go the other way around, so may be I'll post this
one too
marc
----- Original Message -----
From: "Zoe Cournia" <zoe.cournia at iwr.uni-heidelberg.de>
To: <gmx-users at gromacs.org>
Sent: Monday, May 19, 2003 11:31 AM
Subject: [gmx-users] gromacs to dcd/mmtk
> Hello,
>
> I have one .xtc and one .trr trajectory and I would like to convert them
> to either charmm .dcd file or MMTK file so as to analyze with the new
> nMoldyn program (which supports these formats).
> Are you aware of any converter that could do this?
> Thanks,
> Zoe
>
> --
>
>
> -------------------------------------------------------------
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> | Zoe Cournia, Dipl.-Chem. Phone:
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> | University of Heidelberg +49 6221 548808
(office) |
> | IWR - Computational Biophysics +49 179 4840634
(mobile) |
> | Im Neuenheimer Feld 368 +49 6221 346050 (home)
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> | D-69120 Heidelberg Fax: +49 6221 548868
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> |
|
> | email: zoe.cournia at iwr.uni-heidelberg.de
|
> -------------------------------------------------------------
----
>
>
>
>
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