[gmx-users] cpp default location for mac osX in .mdp files

Dr. Daniel James White PhD dan at chalkie.org.uk
Thu May 15 11:53:00 CEST 2003

Thanks for the answer David,

but how do I get my .mdp files to be created with
cpp = cpp
instead of
cpp = /lib/cpp
by default,
so I don't have to edit every single .mdp file I make,
which might get a bit tedious?

is there some template I can change or is it hard coded?



On Wed, 2003-05-14 at 17:20, Dr. Daniel James White PhD wrote:
> Hi all,
> =20
> I am running gromacs on macosX/darwin,
> =20
> the operating system has cpp bit it is not in /lib/cpp
> but can be called with just
> cpp
> =20
> so I have to edit all my .mdp files to change the cpp line from
> /lib/cpp
> cpp
> =20
> then the file work!
> =20
> My question is:
> How do I get gromacs to write the .mdp files with cpp instead of=20
> /lib/cpp

Gromacs doesn't write mdp files, except grompp which copies all your
input lines.=20
If you have
cpp =3D cpp
in your mdp file it will work, and you can use it for any simulation you

> =20
> where is the template file I should change? Is there one?
> =20
> or should I make a symbolic link called /lib/cpp pointing to the cpp=20
> binary (which I'm not sure of the location of... it is part of the 
> OSX=20
> developer tools)
> =20
> cheers
> =20

Groeten, David.

Dr. Daniel James White BSc. (Hons.) PhD
Cell Biology
Department of biological and environmental science
PO Box  35
University of Jyväskylä
Jyväskylä FIN 40014
+358 (0)14 260 4183 (work)
+358 (0)414740463 (mob)

dan at chalkie.org.uk
white at cc.jyu.fi

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