From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri May 25 2007 - 13:02:50 CDT
Hi Luca,
namd is using an embedded tcl interpreter, so what this really comes
down to is finding a way to call a fortran routine from tcl. I have done
this many times with C or C++ code called from tclforces by using swig
(http://www.swig.org/) to create the interface, which is fairly easy and
works quite well. I've never done the same thing with fortran, but I do
know that it is possible. You may want to check out Axel Kohlmeyer's
posts to VMD-L over the last two days, as he has been covering a similar
issue over there in a more fortran-centric way. You might also google
around a bit for fortran/tcl interfaces, since that's really what you're
after.
Best,
Peter
Luca Bellucci wrote:
> Hi all,
> it is possible to recall external programs from tclForces procedure ?
> Can I integrate tcl script, in namd config file, with fortran code ?
>
> Thank you.
> Luca
>
>
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