VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Apr 16 2014 - 14:55:58 CDT
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- In reply to: Norge Cruz Hernández: "convert AMBER format file to CHARMM format file or NAMD format file"
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On Wed, Apr 16, 2014 at 2:24 PM, Norge Cruz Hernández <norge_at_us.es> wrote:
> Hi,
>
> I am new performing molecular dynamics simulations by using NAMD. I have
> obtained the AMBER format files (molecule.top, molecule.pdb and
> molecule.crd) by using link:
> http://glycam.ccrc.uga.edu/ccrc/carbohydrates/cb_newbuilder.jsp?tool=crystallography&option=ff99:glycam06.
> However, I would like to convert such files to the CHARMM format file .psf
> and .crd or NAMD format file .psf and pdb. Please, could you like to
> recommend me any software ... or script.. to convert (molecule.top and
> molecule.crd) in AMBER format =to=> (molecule.psf and molecule.crd) in
> CHARMM format or (molecule.psf and molecule.pdb) in NAMD format?
why don't you just use the amber format files directly? NAMD supports
reading those.
axel.
>
>
>
> Thanks in advance !!!
>
> --
> Prof. Norge Cruz Hernández
> Dpto. Física Aplicada I
> Escuela Técnica Superior de
> Ingeniería Informática
> Universidad de Sevilla
> ave: Reina Mercedes, 41012
> Sevilla, Spain
> Phone number: +34 - 954559970
> Fax number: +34 - 954554341
> http://www.personal.us.es/norge/
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
- Next message: Jeremiah Babcock: "code precision problem"
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- In reply to: Norge Cruz Hernández: "convert AMBER format file to CHARMM format file or NAMD format file"
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