Jones,
>
> The future xml format will be great. And no, cause I can always links my
> fortran codes to C routines... It's just "ugly".
>
> Thanks for the clue in grompp.c file. :)
>
> Now that you've mentioned, why couldn't I use the .tpr files? Shouldn't it
> be like reading the .xtc files, writt
This is what I wrote last year about work flow in using XTC.
http://www.gromacs.org/pipermail/gmx-developers/2006-August/001731.html
David van der Spoel wrote:
Jones de Andrade wrote:
Hi
The future xml format will be great. And no, cause I can always links
my fortran codes to C routines...
Jones de Andrade wrote:
Hi
The future xml format will be great. And no, cause I can always links my
fortran codes to C routines... It's just "ugly".
Thanks for the clue in grompp.c file. :)
Now that you've mentioned, why couldn't I use the .tpr files? Shouldn't
it be like reading the .xtc f
Hi
The future xml format will be great. And no, cause I can always links my
fortran codes to C routines... It's just "ugly".
Thanks for the clue in grompp.c file. :)
Now that you've mentioned, why couldn't I use the .tpr files? Shouldn't it
be like reading the .xtc files, written by a C written
Jones de Andrade wrote:
Hi David.
I would say the .top files. .tpr are not of interest in this point,
extra and unnecessary information (at least, I expect).
I would prefer this in fortran if possible, cause it would more easy for
me to manage. But I don't expect it exists.
I have worked on
Hi David.
I would say the .top files. .tpr are not of interest in this point, extra
and unnecessary information (at least, I expect).
I would prefer this in fortran if possible, cause it would more easy for me
to manage. But I don't expect it exists.
About the gromacs C files involved: which on
Jones de Andrade wrote:
Hi all!
About the "same" subject... Does anybody ever tried to read the topology
files from gromacs within fortran?
top or tpr? The latter is out of the question I'd say.
I would accept some C routines for this if necessary... :)
these are in the code of course, bu
Hi all!
About the "same" subject... Does anybody ever tried to read the topology
files from gromacs within fortran?
I would accept some C routines for this if necessary... :)
Thanks a lot,
Jones
On 3/24/07, Tsjerk Wassenaar <[EMAIL PROTECTED]> wrote:
Hi Gurpreet,
Try to get your hands on t
Hi Gurpreet,
Try to get your hands on the original CONCOORD source code
(http://www.mpibpc.gwdg.de/groups/de_groot/concoord/ ; version 1.2
will do). It is written in fortran, and includes the routines to read
and write xtc files.
Best,
Tsjerk
On 3/24/07, singh <[EMAIL PROTECTED]> wrote:
D
Dear Gromacs users,
I am trying to read and write xtc files in fortran . Firstly, I couldn't
find the file in source directory $(GMXHOME)/src/gmxlib/testxtcf.f in
gromacs-3.3.1 as mentioned on
http://www.gromacs.org/documentation/reference_3.3/online/xtc.html. Even if
i copy the code and compi
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