[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
>
> --
>
>
>              -------------------------------------------------------------
----
>              |   Zoe Cournia, Dipl.-Chem.          Phone:
|
>              |   University of Heidelberg          +49 6221 548808
(office)  |
>              |   IWR - Computational Biophysics    +49 179 4840634
(mobile)  |
>              |   Im Neuenheimer Feld 368           +49 6221 346050 (home)
|
>              |   D-69120  Heidelberg               Fax: +49 6221 548868
|
>              |
|
>              |           email: zoe.cournia at iwr.uni-heidelberg.de
|
>              -------------------------------------------------------------
----
>
>
>
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>




More information about the gromacs.org_gmx-users mailing list